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CAS 1639939-40-4 Mc-Val-Ala-PAB-PNP molecular structure lightbox
CAS RN: 1639939-40-4

Mc-Val-Ala-PAB-PNP

Product Availability

Choose a grade to view its available package options.

9 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251015 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250331 1g Out of stock Inquiry
Batchno.20251222 250mg Out of stock Inquiry
Batchno.20250129 50mg In stock Shanghai Inquiry
Batchno.20250615 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251130 100mg In stock Inquiry
Batchno.20250219 25mg In stock Inquiry
Batchno.20251212 500mg Out of stock Inquiry
Batchno.20260410 5mg In stock Inquiry
  • Product code: SSC-071564
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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: ＞97%
  • 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 1639939-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry

1639939-40-4 / [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

Standard CAS: 1639939-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1639939-40-4
Multi CAS
No
Molecular Formula
C32H37N5O10
Molecular Weight
651.700000
Exact Mass
651.254042
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)CCCCCN3C(=O)C=CC3=O
InChI
InChI=1S/C32H37N5O10/c1-20(2)29(35-26(38)7-5-4-6-18-36-27(39)16-17-28(36)40)31(42)33-21(3)30(41)34-23-10-8-22(9-11-23)19-46-32(43)47-25-14-12-24(13-15-25)37(44)45/h8-17,20-21,29H,4-7,18-19H2,1-3H3,(H,33,42)(H,34,41)(H,35,38)/t21-,29-/m0/s1
InChIKey
QXMLUPPUFBNKRY-LGGPFLRQSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
3
Molar refractivity
167.68
TPSA
203.35

LogP / Solubility

WLOGP
3.38
MLOGP
3.03
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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