8009-9315 Screening compound: propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

8009-9315 Screening compound: propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
8009-9315 Screening compound: propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9315
propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

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

8009-9315

Molecular Formula

C20H17F3N2O3S (C20 H17 F3 N2 O3 S)

Compound Name

propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

IUPAC name

propan-2-yl 4-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

SMILES

CC(C)OC(CC(CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N)=O)=O

InChI

InChI=1S/C20H17F3N2O3S/c1-12(2)28-18(27)8-14(26)11-29-19-15(10-24)16(20(21,22)23)9-17(25-19)13-6-4-3-5-7-13/h3-7,9,12H,8,11H2,1-2H3

InChI Key

PCPCKYJZLBJUEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01416786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-4.76

Polar Surface Area

58.363

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8009-9315 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8009-9315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9315?
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What is the minimum amount of 8009-9315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9315
  • 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 8009-9315 available by request