8013-8635 Screening compound: 1-(3,5-dimethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

8013-8635 Screening compound: 1-(3,5-dimethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
8013-8635 Screening compound: 1-(3,5-dimethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8635
1-(3,5-dimethylphenyl)-4,6-dimethyl-2-oxo-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

8013-8635

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

1-(3,5-dimethylphenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

IUPAC name

1-(35-dimethylphenyl)-46-dimethyl-2-oxo-12-dihydropyridine-3-carbonitrile

SMILES

Cc1cc(N(C(C)=CC(C)=C2C#N)C2=O)cc(C)c1

InChI

InChI=1S/C16H16N2O/c1-10-5-11(2)7-14(6-10)18-13(4)8-12(3)15(9-17)16(18)19/h5-8H,1-4H3

InChI Key

DXGPBMZBGVJTGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.23

Polar Surface Area

31.872

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-8635 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-8635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8635?
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What is the minimum amount of 8013-8635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8635
  • 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 8013-8635 available by request