8009-7842 Screening compound: methyl 2-{[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

8009-7842 Screening compound: methyl 2-{[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
8009-7842 Screening compound: methyl 2-{[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7842
methyl 2-{[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-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

8009-7842

Molecular Formula

C13H12N2O3S2 (C13 H12 N2 O3 S2)

Compound Name

methyl 2-{[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[3-cyano-6-oxo-4-(thiophen-3-yl)-1456-tetrahydropyridin-2-yl]sulfanyl}acetate

SMILES

COC(CSC(NC(CC1c2cscc2)=O)=C1C#N)=O

InChI

InChI=1S/C13H12N2O3S2/c1-18-12(17)7-20-13-10(5-14)9(4-11(16)15-13)8-2-3-19-6-8/h2-3,6,9H,4,7H2,1H3,(H,15,16)/t9-/m0/s1

InChI Key

DEUNITGWHVVPNT-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01820286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.272

Distribution Coefficient, logD

1.227

Water Solubility, LogSw

-2.22

Polar Surface Area

62.784

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8009-7842 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-7842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7842?
Check Price and Availability of 8009-7842, 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 8009-7842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7842
  • 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 8009-7842 available by request