V007-5994 Screening compound: 3-(2-chlorophenyl)-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole

V007-5994 Screening compound: 3-(2-chlorophenyl)-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole
V007-5994 Screening compound: 3-(2-chlorophenyl)-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-5994
3-(2-chlorophenyl)-5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(4-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

V007-5994

Molecular Formula

C22H16ClF2N3S (C22 H16 ClF2 N3 S)

Compound Name

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

IUPAC name

3-(2-chlorophenyl)-5-{[(35-difluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-124-triazole

SMILES

Cc(cc1)ccc1-n1c(SCc2cc(F)cc(F)c2)nnc1-c(cccc1)c1Cl

InChI

InChI=1S/C22H16ClF2N3S/c1-14-6-8-18(9-7-14)28-21(19-4-2-3-5-20(19)23)26-27-22(28)29-13-15-10-16(24)12-17(25)11-15/h2-12H,13H2,1H3

InChI Key

FAYHPXPETNHJLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844279

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

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.452

Distribution Coefficient, logD

6.452

Water Solubility, LogSw

-6.39

Polar Surface Area

24.712

Acid Dissociation Constant (pKa)

23.74

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V007-5994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5994?
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What is the minimum amount of V007-5994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5994
  • 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 V007-5994 available by request