8009-7835 Screening compound: benzyl 2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

8009-7835 Screening compound: benzyl 2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
8009-7835 Screening compound: benzyl 2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7835
benzyl 2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-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

8009-7835

Molecular Formula

C20H18N2O3S2 (C20 H18 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(CC(N2)=O)C(C#N)=C2SCC(OCc2ccccc2)=O)scc1

InChI

InChI=1S/C20H18N2O3S2/c1-13-7-8-26-19(13)15-9-17(23)22-20(16(15)10-21)27-12-18(24)25-11-14-5-3-2-4-6-14/h2-8,15H,9,11-12H2,1H3,(H,22,23)/t15-/m1/s1

InChI Key

NJCQCDHOIYSPKJ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01820280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.89

Polar Surface Area

62.468

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8009-7835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7835?
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What is the minimum amount of 8009-7835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7835
  • 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 8009-7835 available by request