V010-9312 Screening compound: 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V010-9312 Screening compound: 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V010-9312 Screening compound: 3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9312
3-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-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

V010-9312

Molecular Formula

C22H16Cl3N3OS (C22 H16 Cl3 N3 OS)

Compound Name

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

IUPAC name

3-(2-chlorophenyl)-4-(34-dichlorophenyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

COc1ccc(CSc2nnc(-c(cccc3)c3Cl)n2-c(cc2)cc(Cl)c2Cl)cc1

InChI

InChI=1S/C22H16Cl3N3OS/c1-29-16-9-6-14(7-10-16)13-30-22-27-26-21(17-4-2-3-5-18(17)23)28(22)15-8-11-19(24)20(25)12-15/h2-12H,13H2,1H3

InChI Key

QJTXSGQITNOSLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772308

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.634

Distribution Coefficient, logD

6.634

Water Solubility, LogSw

-6.34

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V010-9312 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V010-9312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9312?
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What is the minimum amount of V010-9312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9312
  • 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 V010-9312 available by request