V004-8893 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole

V004-8893 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
V004-8893 Screening compound: 3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8893
3-{[(2,5-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-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

V004-8893

Molecular Formula

C22H16F3N3S (C22 H16 F3 N3 S)

Compound Name

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

IUPAC name

3-{[(25-difluorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-124-triazole

SMILES

Cc(cccc1)c1-n1c(SCc(cc(cc2)F)c2F)nnc1-c(cccc1)c1F

InChI

InChI=1S/C22H16F3N3S/c1-14-6-2-5-9-20(14)28-21(17-7-3-4-8-19(17)25)26-27-22(28)29-13-15-12-16(23)10-11-18(15)24/h2-12H,13H2,1H3

InChI Key

RMALEVHIFFTYGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843750

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-5.88

Polar Surface Area

24.412

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V004-8893 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V004-8893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8893?
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What is the minimum amount of V004-8893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8893
  • 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 V004-8893 available by request