V010-2663 Screening compound: 2-({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide

V010-2663 Screening compound: 2-({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide
V010-2663 Screening compound: 2-({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-2663
2-({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(diphenylmethyl)-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

V010-2663

Molecular Formula

C30H22ClN5O2S2 (C30 H22 ClN5 O2 S2)

Compound Name

2-({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(diphenylmethyl)-1,3-thiazole-4-carboxamide

IUPAC name

2-({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-(diphenylmethyl)-13-thiazole-4-carboxamide

SMILES

O=C(c1csc(CSc2nnc(-c3ccco3)n2-c(cc2)ccc2Cl)n1)NC(c1ccccc1)c1ccccc1

InChI

InChI=1S/C30H22ClN5O2S2/c31-22-13-15-23(16-14-22)36-28(25-12-7-17-38-25)34-35-30(36)40-19-26-32-24(18-39-26)29(37)33-27(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-18,27H,19H2,(H,33,37)

InChI Key

CTSXRWVFTQDWRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19736044

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.714

Distribution Coefficient, logD

6.714

Water Solubility, LogSw

-6.49

Polar Surface Area

67.286

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

V010-2663 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 V010-2663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-2663?
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What is the minimum amount of V010-2663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-2663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-2663
  • 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 V010-2663 available by request