V029-8478 Screening compound: 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

V029-8478 Screening compound: 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
V029-8478 Screening compound: 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8478
2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)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

V029-8478

Molecular Formula

C28H21ClFN5OS (C28 H21 ClFN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)cccc1)NCc(cc1)ccc1F

InChI

InChI=1S/C28H21ClFN5OS/c29-22-5-3-6-24(16-22)35-26(20-12-14-31-15-13-20)33-34-28(35)37-18-21-4-1-2-7-25(21)27(36)32-17-19-8-10-23(30)11-9-19/h1-16H,17-18H2,(H,32,36)

InChI Key

BGKHMLNDQGUGCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27633618

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.804

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-6.04

Polar Surface Area

58.554

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with V029-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V029-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8478
  • 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 V029-8478 available by request