8011-5332 Screening compound: propan-2-yl 2-{[3-cyano-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate

8011-5332 Screening compound: propan-2-yl 2-{[3-cyano-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
8011-5332 Screening compound: propan-2-yl 2-{[3-cyano-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5332
propan-2-yl 2-{[3-cyano-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate

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

8011-5332

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

propan-2-yl 2-{[3-cyano-4-(cyclohex-3-en-1-yl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate

IUPAC name

propan-2-yl 2-{[3-cyano-4-(cyclohex-3-en-1-yl)-5H6H7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate

SMILES

CC(C)OC(CSc1nc(CCC2)c2c(C2CC=CCC2)c1C#N)=O

InChI

InChI=1S/C20H24N2O2S/c1-13(2)24-18(23)12-25-20-16(11-21)19(14-7-4-3-5-8-14)15-9-6-10-17(15)22-20/h3-4,13-14H,5-10,12H2,1-2H3/t14-/m1/s1

InChI Key

BYJMITRGJOUKAS-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-4.87

Polar Surface Area

47.588

Acid Dissociation Constant (pKa)

18.44

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with 8011-5332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5332?
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What is the minimum amount of 8011-5332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5332
  • 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 8011-5332 available by request