V009-0594 Screening compound: 1-cyclopentyl-2-[(3,5-difluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-5-yl (3-methylpiperidino) sulfone

V009-0594 Screening compound: 1-cyclopentyl-2-[(3,5-difluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-5-yl (3-methylpiperidino) sulfone
V009-0594 Screening compound: 1-cyclopentyl-2-[(3,5-difluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-5-yl (3-methylpiperidino) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0594
1-cyclopentyl-2-[(3,5-difluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-5-yl (3-methylpiperidino) sulfone

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

V009-0594

Molecular Formula

C25H29F2N3O2S2 (C25 H29 F2 N3 O2 S2)

Compound Name

1-cyclopentyl-2-[(3,5-difluorobenzyl)sulfanyl]-1H-1,3-benzimidazol-5-yl (3-methylpiperidino) sulfone

IUPAC name

1-cyclopentyl-2-{[(35-difluorophenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-13-benzodiazole

SMILES

CC(CCC1)CN1S(c(cc1)cc2c1n(C1CCCC1)c(SCc1cc(F)cc(F)c1)n2)(=O)=O

InChI

InChI=1S/C25H29F2N3O2S2/c1-17-5-4-10-29(15-17)34(31,32)22-8-9-24-23(14-22)28-25(30(24)21-6-2-3-7-21)33-16-18-11-19(26)13-20(27)12-18/h8-9,11-14,17,21H,2-7,10,15-16H2,1H3/t17-/m0/s1

InChI Key

UGKXPCYLCOSEOL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19958583

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.65

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

6.216

Distribution Coefficient, logD

6.216

Water Solubility, LogSw

-5.55

Polar Surface Area

43.064

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

V009-0594 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 V009-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0594?
Check Price and Availability of V009-0594, 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 V009-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0594
  • 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 V009-0594 available by request