V006-8572 Screening compound: 3-benzyl-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazole

V006-8572 Screening compound: 3-benzyl-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazole
V006-8572 Screening compound: 3-benzyl-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8572
3-benzyl-5-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-(3-methylphenyl)-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

V006-8572

Molecular Formula

C23H19F2N3S (C23 H19 F2 N3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-n2c(SCc(cc3)cc(F)c3F)nnc2Cc2ccccc2)c1

InChI

InChI=1S/C23H19F2N3S/c1-16-6-5-9-19(12-16)28-22(14-17-7-3-2-4-8-17)26-27-23(28)29-15-18-10-11-20(24)21(25)13-18/h2-13H,14-15H2,1H3

InChI Key

ULEVJFUHQHNDLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772301

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.49

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

5.716

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.71

Polar Surface Area

25.689

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

V006-8572 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 V006-8572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8572?
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What is the minimum amount of V006-8572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8572
  • 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 V006-8572 available by request