8013-9397 Screening compound: 4-(4-methoxy-3-methylphenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile

8013-9397 Screening compound: 4-(4-methoxy-3-methylphenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
8013-9397 Screening compound: 4-(4-methoxy-3-methylphenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9397
4-(4-methoxy-3-methylphenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile

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

8013-9397

Molecular Formula

C20H16N2OS (C20 H16 N2 OS)

Compound Name

4-(4-methoxy-3-methylphenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile

IUPAC name

4-(4-methoxy-3-methylphenyl)-6-phenyl-2-sulfanylidene-12-dihydropyridine-3-carbonitrile

SMILES

Cc(cc(cc1)C(C=C(c2ccccc2)NC2=S)=C2C#N)c1OC

InChI

InChI=1S/C20H16N2OS/c1-13-10-15(8-9-19(13)23-2)16-11-18(14-6-4-3-5-7-14)22-20(24)17(16)12-21/h3-11H,1-2H3,(H,22,24)

InChI Key

VEDBFQALLFYWLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

2.075

Water Solubility, LogSw

-4.64

Polar Surface Area

36.535

Acid Dissociation Constant (pKa)

4.78

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 8013-9397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9397?
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What is the minimum amount of 8013-9397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9397
  • 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 8013-9397 available by request