V024-8250 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V024-8250 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V024-8250 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8250
N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-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

V024-8250

Molecular Formula

C27H19FN4O4S (C27 H19 FN4 O4 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

O=C(c1ccc(CSc2nnc(-c3ccco3)n2-c(cccc2)c2F)cc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H19FN4O4S/c28-20-4-1-2-5-21(20)32-25(23-6-3-13-34-23)30-31-27(32)37-15-17-7-9-18(10-8-17)26(33)29-19-11-12-22-24(14-19)36-16-35-22/h1-14H,15-16H2,(H,29,33)

InChI Key

RQHVTXORYRNFLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785968

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.678

Water Solubility, LogSw

-4.76

Polar Surface Area

73.197

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

V024-8250 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V024-8250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8250?
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What is the minimum amount of V024-8250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8250
  • 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 V024-8250 available by request