V012-1640 Screening compound: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

V012-1640 Screening compound: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
V012-1640 Screening compound: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1640
3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-{[(2-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

V012-1640

Molecular Formula

C22H17ClFN3OS (C22 H17 ClFN3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CSc2nnc(-c(cccc3)c3Cl)n2-c(cccc2)c2F)cccc1

InChI

InChI=1S/C22H17ClFN3OS/c1-28-20-13-7-2-8-15(20)14-29-22-26-25-21(16-9-3-4-10-17(16)23)27(22)19-12-6-5-11-18(19)24/h2-13H,14H2,1H3

InChI Key

WZOWFSVTCVLEBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844269

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.91

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

5.679

Distribution Coefficient, logD

5.679

Water Solubility, LogSw

-5.90

Polar Surface Area

32.042

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V012-1640 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V012-1640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1640?
Check Price and Availability of V012-1640, 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 V012-1640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1640
  • 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 V012-1640 available by request