V010-9450 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole

V010-9450 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
V010-9450 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9450
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-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

V010-9450

Molecular Formula

C22H16Cl3N3OS (C22 H16 Cl3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(n1-c(cc2)cc(Cl)c2Cl)nnc1SCc(cc1)ccc1Cl

InChI

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

InChI Key

VGUGDUMWJYJNND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843990

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

6.997

Distribution Coefficient, logD

6.997

Water Solubility, LogSw

-6.80

Polar Surface Area

32.256

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V010-9450 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 V010-9450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9450?
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What is the minimum amount of V010-9450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9450
  • 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 V010-9450 available by request