V013-4521 Screening compound: 3-(furan-2-yl)-4-(4-methoxyphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V013-4521 Screening compound: 3-(furan-2-yl)-4-(4-methoxyphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V013-4521 Screening compound: 3-(furan-2-yl)-4-(4-methoxyphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4521
3-(furan-2-yl)-4-(4-methoxyphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

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

V013-4521

Molecular Formula

C25H24N4O3S (C25 H24 N4 O3 S)

Compound Name

3-(furan-2-yl)-4-(4-methoxyphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(furan-2-yl)-4-(4-methoxyphenyl)-5-({[4-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-124-triazole

SMILES

COc(cc1)ccc1-n1c(SCc(cc2)ccc2C(N2CCCC2)=O)nnc1-c1ccco1

InChI

InChI=1S/C25H24N4O3S/c1-31-21-12-10-20(11-13-21)29-23(22-5-4-16-32-22)26-27-25(29)33-17-18-6-8-19(9-7-18)24(30)28-14-2-3-15-28/h4-13,16H,2-3,14-15,17H2,1H3

InChI Key

FINUNDSECQOWAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10461553

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.83

Polar Surface Area

57.849

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V013-4521 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-4521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4521?
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What is the minimum amount of V013-4521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4521
  • 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 V013-4521 available by request