V006-8562 Screening compound: 3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine

V006-8562 Screening compound: 3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine
V006-8562 Screening compound: 3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8562
3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine

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

V006-8562

Molecular Formula

C21H16F2N4S (C21 H16 F2 N4 S)

Compound Name

3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)pyridine

IUPAC name

3-(5-{[(24-difluorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-4H-124-triazol-3-yl)pyridine

SMILES

Cc(cccc1)c1-n1c(SCc(ccc(F)c2)c2F)nnc1-c1cnccc1

InChI

InChI=1S/C21H16F2N4S/c1-14-5-2-3-7-19(14)27-20(15-6-4-10-24-12-15)25-26-21(27)28-13-16-8-9-17(22)11-18(16)23/h2-12H,13H2,1H3

InChI Key

RUGWHLIARWYUJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776029

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

394.45

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

4.594

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.23

Polar Surface Area

33.929

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

V006-8562 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with V006-8562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8562?
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What is the minimum amount of V006-8562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8562
  • 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 V006-8562 available by request