V029-3847 Screening compound: N-(2-methylpropyl)-2-({[5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V029-3847 Screening compound: N-(2-methylpropyl)-2-({[5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V029-3847 Screening compound: N-(2-methylpropyl)-2-({[5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3847
N-(2-methylpropyl)-2-({[5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]sulfanyl}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

V029-3847

Molecular Formula

C26H24F3N5OS (C26 H24 F3 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(c1c(CSc2nnc(-c3cnccc3)n2-c2cc(C(F)(F)F)ccc2)cccc1)=O

InChI

InChI=1S/C26H24F3N5OS/c1-17(2)14-31-24(35)22-11-4-3-7-19(22)16-36-25-33-32-23(18-8-6-12-30-15-18)34(25)21-10-5-9-20(13-21)26(27,28)29/h3-13,15,17H,14,16H2,1-2H3,(H,31,35)

InChI Key

MPUKYWJTUFMRCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633072

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.57

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

5.346

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-5.29

Polar Surface Area

58.915

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V029-3847 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V029-3847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3847?
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What is the minimum amount of V029-3847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3847
  • 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 V029-3847 available by request