V004-8609 Screening compound: 4-(3-chlorophenyl)-3-(furan-2-yl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole

V004-8609 Screening compound: 4-(3-chlorophenyl)-3-(furan-2-yl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
V004-8609 Screening compound: 4-(3-chlorophenyl)-3-(furan-2-yl)-5-({[2-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8609
4-(3-chlorophenyl)-3-(furan-2-yl)-5-({[2-(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

V004-8609

Molecular Formula

C24H21ClN4O2S (C24 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CSc2nnc(-c3ccco3)n2-c2cccc(Cl)c2)cccc1)N1CCCC1

InChI

InChI=1S/C24H21ClN4O2S/c25-18-8-5-9-19(15-18)29-22(21-11-6-14-31-21)26-27-24(29)32-16-17-7-1-2-10-20(17)23(30)28-12-3-4-13-28/h1-2,5-11,14-15H,3-4,12-13,16H2

InChI Key

VTHLIDRVANIVNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499029

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.930

Distribution Coefficient, logD

4.930

Water Solubility, LogSw

-4.98

Polar Surface Area

50.305

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

V004-8609 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 V004-8609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8609?
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What is the minimum amount of V004-8609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8609
  • 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 V004-8609 available by request