V025-3769 Screening compound: N-(3,4-dimethoxyphenyl)-4-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V025-3769 Screening compound: N-(3,4-dimethoxyphenyl)-4-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V025-3769 Screening compound: N-(3,4-dimethoxyphenyl)-4-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-3769
N-(3,4-dimethoxyphenyl)-4-({[4-(4-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

V025-3769

Molecular Formula

C28H23FN4O4S (C28 H23 FN4 O4 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-4-({[4-(4-fluorophenyl)-5-(furan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

COc(ccc(NC(c1ccc(CSc2nnc(-c3ccco3)n2-c(cc2)ccc2F)cc1)=O)c1)c1OC

InChI

InChI=1S/C28H23FN4O4S/c1-35-23-14-11-21(16-25(23)36-2)30-27(34)19-7-5-18(6-8-19)17-38-28-32-31-26(24-4-3-15-37-24)33(28)22-12-9-20(29)10-13-22/h3-16H,17H2,1-2H3,(H,30,34)

InChI Key

XYCQWVOAOFTSJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791958

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.37

Polar Surface Area

71.643

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V025-3769 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 V025-3769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-3769?
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What is the minimum amount of V025-3769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-3769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-3769
  • 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 V025-3769 available by request