V029-3829 Screening compound: 2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

V029-3829 Screening compound: 2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
V029-3829 Screening compound: 2-({[4-(4-fluorophenyl)-5-(pyridin-3-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 V029-3829
2-({[4-(4-fluorophenyl)-5-(pyridin-3-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

V029-3829

Molecular Formula

C29H21F4N5OS (C29 H21 F4 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CSc2nnc(-c3cnccc3)n2-c(cc2)ccc2F)cccc1)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C29H21F4N5OS/c30-23-10-12-24(13-11-23)38-26(20-7-4-14-34-17-20)36-37-28(38)40-18-21-6-1-2-9-25(21)27(39)35-16-19-5-3-8-22(15-19)29(31,32)33/h1-15,17H,16,18H2,(H,35,39)

InChI Key

BMPDGOMFTJNAMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633058

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.58

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

5.763

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.94

Polar Surface Area

58.644

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

V029-3829 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 V029-3829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3829?
Check Price and Availability of V029-3829, 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 V029-3829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3829
  • 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 V029-3829 available by request