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CAS 103926-64-3 Sepimostat molecular structure lightbox
CAS RN: 103926-64-3

Sepimostat

  • Product code: SSC-005577
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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: 0.1g
  • Available purity: ≥95%
  • 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 103926-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

103926-64-3 / (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate

Sepimostat | Sepimostat [INN] | UNII-5ZFR16F4QQ

Standard CAS: 103926-64-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103926-64-3
Multi CAS
Yes
Molecular Formula
C21H19N5O2
Molecular Weight
373.400000
Exact Mass
373.153875
SMILES
C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26)
InChIKey
QMRJOIUGPCVZPH-UHFFFAOYSA-N
Synonyms
Sepimostat Sepimostat [INN] UNII-5ZFR16F4QQ 5ZFR16F4QQ SEPIMOSTAT [MI]

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
110.29
TPSA
112.59

LogP / Solubility

WLOGP
2.71
MLOGP
2.41
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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