V003-0436 Screening compound: 1-cyclopentyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V003-0436 Screening compound: 1-cyclopentyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V003-0436 Screening compound: 1-cyclopentyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0436
1-cyclopentyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

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

V003-0436

Molecular Formula

C24H29N3O2S2 (C24 H29 N3 O2 S2)

Compound Name

1-cyclopentyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

1-cyclopentyl-2-{[(4-methylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

Cc1ccc(CSc2nc(cc(cc3)S(N4CCCC4)(=O)=O)c3n2C2CCCC2)cc1

InChI

InChI=1S/C24H29N3O2S2/c1-18-8-10-19(11-9-18)17-30-24-25-22-16-21(31(28,29)26-14-4-5-15-26)12-13-23(22)27(24)20-6-2-3-7-20/h8-13,16,20H,2-7,14-15,17H2,1H3

InChI Key

XUBKPMMFBRJIND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958322

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.32

Polar Surface Area

43.497

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

V003-0436 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V003-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0436?
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What is the minimum amount of V003-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0436
  • 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 V003-0436 available by request