V025-7558 Screening compound: 4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide

V025-7558 Screening compound: 4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
V025-7558 Screening compound: 4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-7558
4-({[4-(3-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)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

V025-7558

Molecular Formula

C28H23ClN4O3S (C28 H23 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c(n2-c3cccc(Cl)c3)nnc2SCc(cc2)ccc2C(NCc2ccco2)=O)c1

InChI

InChI=1S/C28H23ClN4O3S/c1-35-24-8-2-5-21(15-24)26-31-32-28(33(26)23-7-3-6-22(29)16-23)37-18-19-10-12-20(13-11-19)27(34)30-17-25-9-4-14-36-25/h2-16H,17-18H2,1H3,(H,30,34)

InChI Key

YYXIQCSUNDGMNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791989

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.029

Distribution Coefficient, logD

6.029

Water Solubility, LogSw

-6.19

Polar Surface Area

64.418

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

V025-7558 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V025-7558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-7558?
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What is the minimum amount of V025-7558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-7558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-7558
  • 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 V025-7558 available by request