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CAS 2687970-96-1 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, N-[4-(hydroxymethyl)-3-(phenylmethyl)-2(3H)-thiazolylidene]-, [N(Z)]- molecular structure lightbox
CAS RN: 2687970-96-1

1H-Pyrrolo[2,3-b]pyridine-3-carboxamide, N-[4-(hydroxymethyl)-3-(phenylmethyl)-2(3H)-thiazolylidene]-, [N(Z)]-

Product Availability

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6 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260116 100mg Out of stock Inquiry
Batchno.20250412 10mg Out of stock Inquiry
Batchno.20260412 250mg Out of stock Inquiry
Batchno.20251001 25mg Out of stock Inquiry
Batchno.20251017 50mg Out of stock Inquiry
Batchno.20250526 5mg / 25mg / 100mg Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-125249
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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 2687970-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

2687970-96-1 / N-[3-benzyl-4-(hydroxymethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Standard CAS: 2687970-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2687970-96-1
Multi CAS
No
Molecular Formula
C19H16N4O2S
Molecular Weight
364.400000
Exact Mass
364.099397
SMILES
C1=CC=C(C=C1)CN2C(=CSC2=NC(=O)C3=CNC4=C3C=CC=N4)CO
InChI
InChI=1S/C19H16N4O2S/c24-11-14-12-26-19(23(14)10-13-5-2-1-3-6-13)22-18(25)16-9-21-17-15(16)7-4-8-20-17/h1-9,12,24H,10-11H2,(H,20,21)
InChIKey
LJNPGPUDPDQGLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
20
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.76
TPSA
83.27

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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