V008-4963 Screening compound: 3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)pyridine

V008-4963 Screening compound: 3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)pyridine
V008-4963 Screening compound: 3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4963
3-(5-{[(2,4-difluorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-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

V008-4963

Molecular Formula

C20H13F3N4S (C20 H13 F3 N4 S)

Compound Name

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

IUPAC name

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

SMILES

Fc1cc(F)c(CSc2nnc(-c3cnccc3)n2-c(cccc2)c2F)cc1

InChI

InChI=1S/C20H13F3N4S/c21-15-8-7-14(17(23)10-15)12-28-20-26-25-19(13-4-3-9-24-11-13)27(20)18-6-2-1-5-16(18)22/h1-11H,12H2

InChI Key

PZQMEXIFROBQGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19775916

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.41

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

4.189

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.28

Polar Surface Area

33.929

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

V008-4963 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V008-4963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4963?
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What is the minimum amount of V008-4963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4963
  • 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 V008-4963 available by request