V006-8037 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole

V006-8037 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole
V006-8037 Screening compound: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8037
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-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

V006-8037

Molecular Formula

C19H13Cl2N3S2 (C19 H13 Cl2 N3 S2)

Compound Name

3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(24-dichlorophenyl)methyl]sulfanyl}-4-phenyl-5-(thiophen-2-yl)-4H-124-triazole

SMILES

Clc1cc(Cl)c(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1

InChI

InChI=1S/C19H13Cl2N3S2/c20-14-9-8-13(16(21)11-14)12-26-19-23-22-18(17-7-4-10-25-17)24(19)15-5-2-1-3-6-15/h1-11H,12H2

InChI Key

WOWPPBOKRHYZLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05130064

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.37

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

6.397

Distribution Coefficient, logD

6.397

Water Solubility, LogSw

-6.48

Polar Surface Area

25.731

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

V006-8037 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V006-8037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8037?
Check Price and Availability of V006-8037, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V006-8037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8037
  • 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 V006-8037 available by request