V010-9927 Screening compound: N-butyl-1-cyclopentyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide

V010-9927 Screening compound: N-butyl-1-cyclopentyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide
V010-9927 Screening compound: N-butyl-1-cyclopentyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9927
N-butyl-1-cyclopentyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide

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

V010-9927

Molecular Formula

C26H35N3O4S2 (C26 H35 N3 O4 S2)

Compound Name

N-butyl-1-cyclopentyl-2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

N-butyl-1-cyclopentyl-2-{[(35-dimethoxyphenyl)methyl]sulfanyl}-N-methyl-1H-13-benzodiazole-5-sulfonamide

SMILES

CCCCN(C)S(c(cc1)cc2c1n(C1CCCC1)c(SCc1cc(OC)cc(OC)c1)n2)(=O)=O

InChI

InChI=1S/C26H35N3O4S2/c1-5-6-13-28(2)35(30,31)23-11-12-25-24(17-23)27-26(29(25)20-9-7-8-10-20)34-18-19-14-21(32-3)16-22(15-19)33-4/h11-12,14-17,20H,5-10,13,18H2,1-4H3

InChI Key

YOZQXSMSEQYEDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958570

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-5.48

Polar Surface Area

59.321

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V010-9927 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V010-9927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9927?
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What is the minimum amount of V010-9927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9927
  • 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 V010-9927 available by request