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CAS 1197160-78-3 PF-05212384 molecular structure lightbox
CAS RN: 1197160-78-3

PF-05212384

Product Availability

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251201 100mg In stock Shanghai Inquiry
Batchno.20250412 10mg In stock Shanghai Inquiry
Batchno.20251129 1g In stock Shanghai Inquiry
Batchno.20250429 1mg In stock Shanghai Inquiry
Batchno.20250331 250mg In stock Shanghai Inquiry
Batchno.20251230 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20250817 5mg In stock Shanghai Inquiry
Batchno.20250905 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai, Chongqing 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251210 1ml In stock Inquiry
  • Product code: SSC-020405
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: >98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1197160-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 0 Out of Stock Shanghai Inquiry

1197160-78-3 / 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea

Gedatolisib | PKI-587 | PF-05212384

Standard CAS: 1197160-78-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197160-78-3
Multi CAS
No
Molecular Formula
C32H41N9O4
Molecular Weight
615.700000
Exact Mass
615.328151
SMILES
CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6
InChI
InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)
InChIKey
DWZAEMINVBZMHQ-UHFFFAOYSA-N
Synonyms
Gedatolisib PKI-587 PF-05212384 1-(4-(4-(Dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea PKI 587

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
2
Molar refractivity
173.02
TPSA
128.29

LogP / Solubility

WLOGP
3.02
MLOGP
2.71
XLogP3
2.4
Consensus LogP
2.71
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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