V007-8804 Screening compound: 1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

V007-8804 Screening compound: 1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
V007-8804 Screening compound: 1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-8804
1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-2-{[(2,3,4,5-tetrafluorophenyl)methyl]sulfanyl}-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

V007-8804

Molecular Formula

C25H27F4N3O2S2 (C25 H27 F4 N3 O2 S2)

Compound Name

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

IUPAC name

1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-2-{[(2345-tetrafluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

CC(CCC1)CN1S(c(cc1)cc2c1n(C1CCCC1)c(SCc(cc(c(F)c1F)F)c1F)n2)(=O)=O

InChI

InChI=1S/C25H27F4N3O2S2/c1-15-5-4-10-31(13-15)36(33,34)18-8-9-21-20(12-18)30-25(32(21)17-6-2-3-7-17)35-14-16-11-19(26)23(28)24(29)22(16)27/h8-9,11-12,15,17H,2-7,10,13-14H2,1H3/t15-/m0/s1

InChI Key

DCSIAPIUCZQIJB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19958630

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.63

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

6.619

Distribution Coefficient, logD

6.619

Water Solubility, LogSw

-5.78

Polar Surface Area

43.064

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

V007-8804 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 V007-8804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-8804?
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What is the minimum amount of V007-8804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-8804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-8804
  • 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 V007-8804 available by request