V001-6906 Screening compound: 1-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole

V001-6906 Screening compound: 1-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole
V001-6906 Screening compound: 1-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6906
1-cyclopentyl-2-{[(2,5-dimethylphenyl)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

V001-6906

Molecular Formula

C25H31N3O2S2 (C25 H31 N3 O2 S2)

Compound Name

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

IUPAC name

1-cyclopentyl-2-{[(25-dimethylphenyl)methyl]sulfanyl}-5-(pyrrolidine-1-sulfonyl)-1H-13-benzodiazole

SMILES

Cc1cc(CSc2nc(cc(cc3)S(N4CCCC4)(=O)=O)c3n2C2CCCC2)c(C)cc1

InChI

InChI=1S/C25H31N3O2S2/c1-18-9-10-19(2)20(15-18)17-31-25-26-23-16-22(32(29,30)27-13-5-6-14-27)11-12-24(23)28(25)21-7-3-4-8-21/h9-12,15-16,21H,3-8,13-14,17H2,1-2H3

InChI Key

BNRABNATIDLZEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958374

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.67

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

6.400

Distribution Coefficient, logD

6.400

Water Solubility, LogSw

-5.60

Polar Surface Area

43.497

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V001-6906 in Drug Discovery

Included in Screening Libraries

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

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 V001-6906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6906?
Check Price and Availability of V001-6906, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-6906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6906
  • 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 V001-6906 available by request