V020-1359 Screening compound: N-(2-{[(4-cyanophenyl)carbamoyl]amino}cyclohexyl)-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

V020-1359 Screening compound: N-(2-{[(4-cyanophenyl)carbamoyl]amino}cyclohexyl)-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
V020-1359 Screening compound: N-(2-{[(4-cyanophenyl)carbamoyl]amino}cyclohexyl)-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1359
N-(2-{[(4-cyanophenyl)carbamoyl]amino}cyclohexyl)-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

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

V020-1359

Molecular Formula

C25H24FN5O3S (C25 H24 FN5 O3 S)

Compound Name

N-(2-{[(4-cyanophenyl)carbamoyl]amino}cyclohexyl)-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

N-(2-{[(4-cyanophenyl)carbamoyl]amino}cyclohexyl)-2-[(2-fluorophenoxy)methyl]-13-thiazole-4-carboxamide

SMILES

N#Cc(cc1)ccc1NC(NC(CCCC1)C1NC(c1csc(COc(cccc2)c2F)n1)=O)=O

InChI

InChI=1S/C25H24FN5O3S/c26-18-5-1-4-8-22(18)34-14-23-29-21(15-35-23)24(32)30-19-6-2-3-7-20(19)31-25(33)28-17-11-9-16(13-27)10-12-17/h1,4-5,8-12,15,19-20H,2-3,6-7,14H2,(H,30,32)(H2,28,31,33)

InChI Key

QBWGALNELJGLIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-4.47

Polar Surface Area

93.187

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

V020-1359 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-1359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1359?
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What is the minimum amount of V020-1359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1359
  • 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 V020-1359 available by request