V009-0604 Screening compound: N-butyl-1-cyclopentyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide

V009-0604 Screening compound: N-butyl-1-cyclopentyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide
V009-0604 Screening compound: N-butyl-1-cyclopentyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-N-methyl-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0604
N-butyl-1-cyclopentyl-2-{[(2-fluorophenyl)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

V009-0604

Molecular Formula

C24H30FN3O2S2 (C24 H30 FN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)S(c(cc1)cc2c1n(C1CCCC1)c(SCc(cccc1)c1F)n2)(=O)=O

InChI

InChI=1S/C24H30FN3O2S2/c1-3-4-15-27(2)32(29,30)20-13-14-23-22(16-20)26-24(28(23)19-10-6-7-11-19)31-17-18-9-5-8-12-21(18)25/h5,8-9,12-14,16,19H,3-4,6-7,10-11,15,17H2,1-2H3

InChI Key

XCBOMFRBIARQSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958523

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.415

Distribution Coefficient, logD

6.415

Water Solubility, LogSw

-5.71

Polar Surface Area

44.234

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

V009-0604 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 V009-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0604?
Check Price and Availability of V009-0604, 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 V009-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0604
  • 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 V009-0604 available by request