V029-6693 Screening compound: 2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V029-6693 Screening compound: 2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V029-6693 Screening compound: 2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6693
2-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-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

V029-6693

Molecular Formula

C30H24F3N5OS (C30 H24 F3 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n1c(SCc(cccc2)c2C(NCc2cc(C(F)(F)F)ccc2)=O)nnc1-c1ccncc1

InChI

InChI=1S/C30H24F3N5OS/c1-20-7-2-5-12-26(20)38-27(22-13-15-34-16-14-22)36-37-29(38)40-19-23-9-3-4-11-25(23)28(39)35-18-21-8-6-10-24(17-21)30(31,32)33/h2-17H,18-19H2,1H3,(H,35,39)

InChI Key

DDTQHVIWFBZVIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633282

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.324

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-5.67

Polar Surface Area

58.253

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V029-6693 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 V029-6693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6693?
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What is the minimum amount of V029-6693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6693
  • 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 V029-6693 available by request