V008-0195 Screening compound: N-butyl-1-cyclopentyl-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide

V008-0195 Screening compound: N-butyl-1-cyclopentyl-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide
V008-0195 Screening compound: N-butyl-1-cyclopentyl-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0195
N-butyl-1-cyclopentyl-2-{[(4-methoxyphenyl)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

V008-0195

Molecular Formula

C25H33N3O3S2 (C25 H33 N3 O3 S2)

Compound Name

N-butyl-1-cyclopentyl-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

N-butyl-1-cyclopentyl-2-{[(4-methoxyphenyl)methyl]sulfanyl}-N-methyl-1H-13-benzodiazole-5-sulfonamide

SMILES

CCCCN(C)S(c(cc1)cc2c1n(C1CCCC1)c(SCc(cc1)ccc1OC)n2)(=O)=O

InChI

InChI=1S/C25H33N3O3S2/c1-4-5-16-27(2)33(29,30)22-14-15-24-23(17-22)26-25(28(24)20-8-6-7-9-20)32-18-19-10-12-21(31-3)13-11-19/h10-15,17,20H,4-9,16,18H2,1-3H3

InChI Key

WCGGKUJXKIZJQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958664

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.833

Distribution Coefficient, logD

5.833

Water Solubility, LogSw

-5.41

Polar Surface Area

51.778

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V008-0195 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 V008-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0195?
Check Price and Availability of V008-0195, 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 V008-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0195
  • 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 V008-0195 available by request