V007-8836 Screening compound: 1-cyclopentyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

V007-8836 Screening compound: 1-cyclopentyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole
V007-8836 Screening compound: 1-cyclopentyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-8836
1-cyclopentyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)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

V007-8836

Molecular Formula

C25H30FN3O2S2 (C25 H30 FN3 O2 S2)

Compound Name

1-cyclopentyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

IUPAC name

1-cyclopentyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-13-benzodiazole

SMILES

CC(CCC1)CN1S(c(cc1)cc2c1n(C1CCCC1)c(SCc(cc1)ccc1F)n2)(=O)=O

InChI

InChI=1S/C25H30FN3O2S2/c1-18-5-4-14-28(16-18)33(30,31)22-12-13-24-23(15-22)27-25(29(24)21-6-2-3-7-21)32-17-19-8-10-20(26)11-9-19/h8-13,15,18,21H,2-7,14,16-17H2,1H3/t18-/m0/s1

InChI Key

MHEYJBKGQGEPSP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19958586

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.66

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

5.560

Distribution Coefficient, logD

5.560

Water Solubility, LogSw

-5.43

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

V007-8836 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 V007-8836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-8836?
Check Price and Availability of V007-8836, 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 V007-8836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-8836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-8836
  • 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 V007-8836 available by request