4264-2017 Screening compound: (2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-(4-chlorophenyl)-2-cyanoprop-2-enamide

4264-2017 Screening compound: (2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
4264-2017 Screening compound: (2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-(4-chlorophenyl)-2-cyanoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4264-2017
(2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-(4-chlorophenyl)-2-cyanoprop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4264-2017

Molecular Formula

C23H19ClN4OS (C23 H19 ClN4 OS)

Compound Name

(2E)-N-{5-benzyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-yl}-3-(4-chlorophenyl)-2-cyanoprop-2-enamide

IUPAC name

(2E)-N-{5-benzyl-4H5H6H7H-[13]thiazolo[54-c]pyridin-2-yl}-3-(4-chlorophenyl)-2-cyanoprop-2-enamide

SMILES

N#C/C(/C(Nc1nc(CCN(Cc2ccccc2)C2)c2s1)=O)=C\c(cc1)ccc1Cl

InChI

InChI=1S/C23H19ClN4OS/c24-19-8-6-16(7-9-19)12-18(13-25)22(29)27-23-26-20-10-11-28(15-21(20)30-23)14-17-4-2-1-3-5-17/h1-9,12H,10-11,14-15H2,(H,26,27,29)

InChI Key

RHXRRXREDCWMAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02654119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.88

Polar Surface Area

55.328

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4264-2017 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4264-2017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4264-2017?
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What is the minimum amount of 4264-2017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4264-2017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4264-2017
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4264-2017 available by request