V004-7517 Screening compound: 3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V004-7517 Screening compound: 3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V004-7517 Screening compound: 3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7517
3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-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

V004-7517

Molecular Formula

C22H16ClF2N3S (C22 H16 ClF2 N3 S)

Compound Name

3-benzyl-4-(3-chlorophenyl)-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

3-benzyl-4-(3-chlorophenyl)-5-{[(34-difluorophenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

Fc(ccc(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)c1)c1F

InChI

InChI=1S/C22H16ClF2N3S/c23-17-7-4-8-18(13-17)28-21(12-15-5-2-1-3-6-15)26-27-22(28)29-14-16-9-10-19(24)20(25)11-16/h1-11,13H,12,14H2

InChI Key

QELVMKQFDSNKOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772312

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.857

Distribution Coefficient, logD

5.857

Water Solubility, LogSw

-6.20

Polar Surface Area

25.689

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V004-7517 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V004-7517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7517?
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What is the minimum amount of V004-7517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7517
  • 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 V004-7517 available by request