V010-9231 Screening compound: 4-(3,4-dichlorophenyl)-3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole

V010-9231 Screening compound: 4-(3,4-dichlorophenyl)-3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole
V010-9231 Screening compound: 4-(3,4-dichlorophenyl)-3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9231
4-(3,4-dichlorophenyl)-3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole

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

V010-9231

Molecular Formula

C19H11Cl2F2N3OS (C19 H11 Cl2 F2 N3 OS)

Compound Name

4-(3,4-dichlorophenyl)-3-{[(2,6-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-1,2,4-triazole

IUPAC name

4-(34-dichlorophenyl)-3-{[(26-difluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4H-124-triazole

SMILES

Fc1cccc(F)c1CSc1nnc(-c2ccco2)n1-c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C19H11Cl2F2N3OS/c20-13-7-6-11(9-14(13)21)26-18(17-5-2-8-27-17)24-25-19(26)28-10-12-15(22)3-1-4-16(12)23/h1-9H,10H2

InChI Key

GNRSUHDKURETEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775974

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.863

Distribution Coefficient, logD

5.863

Water Solubility, LogSw

-6.26

Polar Surface Area

33.291

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

V010-9231 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V010-9231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9231?
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What is the minimum amount of V010-9231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9231
  • 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 V010-9231 available by request