V009-0643 Screening compound: methyl 3-[({1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate

V009-0643 Screening compound: methyl 3-[({1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate
V009-0643 Screening compound: methyl 3-[({1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0643
methyl 3-[({1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate

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

V009-0643

Molecular Formula

C27H33N3O4S2 (C27 H33 N3 O4 S2)

Compound Name

methyl 3-[({1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate

IUPAC name

methyl 3-[({1-cyclopentyl-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-13-benzodiazol-2-yl}sulfanyl)methyl]benzoate

SMILES

CC(CCC1)CN1S(c(cc1)cc2c1n(C1CCCC1)c(SCc1cc(C(OC)=O)ccc1)n2)(=O)=O

InChI

InChI=1S/C27H33N3O4S2/c1-19-7-6-14-29(17-19)36(32,33)23-12-13-25-24(16-23)28-27(30(25)22-10-3-4-11-22)35-18-20-8-5-9-21(15-20)26(31)34-2/h5,8-9,12-13,15-16,19,22H,3-4,6-7,10-11,14,17-18H2,1-2H3/t19-/m0/s1

InChI Key

UAZOLMCKDUHSEF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19958592

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.793

Distribution Coefficient, logD

5.793

Water Solubility, LogSw

-5.48

Polar Surface Area

64.238

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

V009-0643 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 V009-0643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0643?
Check Price and Availability of V009-0643, 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 V009-0643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0643
  • 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 V009-0643 available by request