V030-6963 Screening compound: 3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-fluorophenyl)benzamide

V030-6963 Screening compound: 3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-fluorophenyl)benzamide
V030-6963 Screening compound: 3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6963
3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-fluorophenyl)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

V030-6963

Molecular Formula

C27H19ClFN5OS (C27 H19 ClFN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)c1)Nc1cc(F)ccc1

InChI

InChI=1S/C27H19ClFN5OS/c28-21-6-2-9-24(15-21)34-25(19-10-12-30-13-11-19)32-33-27(34)36-17-18-4-1-5-20(14-18)26(35)31-23-8-3-7-22(29)16-23/h1-16H,17H2,(H,31,35)

InChI Key

RVWBXOXFIKEIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634050

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.748

Distribution Coefficient, logD

5.731

Water Solubility, LogSw

-6.05

Polar Surface Area

57.232

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with V030-6963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6963?
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What is the minimum amount of V030-6963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6963
  • 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 V030-6963 available by request