V029-8273 Screening compound: 3-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V029-8273 Screening compound: 3-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V029-8273 Screening compound: 3-({[4-(4-methoxyphenyl)-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 V029-8273
3-({[4-(4-methoxyphenyl)-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

V029-8273

Molecular Formula

C30H24F3N5O2S (C30 H24 F3 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1c(SCc2cc(C(NCc3cc(C(F)(F)F)ccc3)=O)ccc2)nnc1-c1ccncc1

InChI

InChI=1S/C30H24F3N5O2S/c1-40-26-10-8-25(9-11-26)38-27(22-12-14-34-15-13-22)36-37-29(38)41-19-21-5-2-6-23(16-21)28(39)35-18-20-4-3-7-24(17-20)30(31,32)33/h2-17H,18-19H2,1H3,(H,35,39)

InChI Key

STBKLDQLRQCVNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633573

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

575.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

5.433

Water Solubility, LogSw

-5.41

Polar Surface Area

66.098

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

V029-8273 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V029-8273 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V029-8273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8273
  • 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 V029-8273 available by request