V024-9163 Screening compound: 4-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V024-9163 Screening compound: 4-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V024-9163 Screening compound: 4-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9163
4-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

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

V024-9163

Molecular Formula

C30H21Cl2F3N4OS (C30 H21 Cl2 F3 N4 OS)

Compound Name

4-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

IUPAC name

4-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

SMILES

O=C(c1ccc(CSc2nnc(-c(cccc3)c3Cl)n2-c2cc(Cl)ccc2)cc1)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C30H21Cl2F3N4OS/c31-23-7-4-8-24(16-23)39-27(25-9-1-2-10-26(25)32)37-38-29(39)41-18-19-11-13-21(14-12-19)28(40)36-17-20-5-3-6-22(15-20)30(33,34)35/h1-16H,17-18H2,(H,36,40)

InChI Key

BTLVNUQPNULWSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791800

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

613.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.248

Distribution Coefficient, logD

7.248

Water Solubility, LogSw

-6.45

Polar Surface Area

49.126

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V024-9163 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 V024-9163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9163?
Check Price and Availability of V024-9163, 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 V024-9163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9163
  • 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 V024-9163 available by request