4111-1459 Screening compound: 4,6-dimethyl-1-[(E)-[(5-methylthiophen-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile

4111-1459 Screening compound: 4,6-dimethyl-1-[(E)-[(5-methylthiophen-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile
4111-1459 Screening compound: 4,6-dimethyl-1-[(E)-[(5-methylthiophen-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1459
4,6-dimethyl-1-[(E)-[(5-methylthiophen-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile

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

4111-1459

Molecular Formula

C14H13N3OS (C14 H13 N3 OS)

Compound Name

4,6-dimethyl-1-[(E)-[(5-methylthiophen-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile

IUPAC name

46-dimethyl-1-[(E)-[(5-methylthiophen-2-yl)methylidene]amino]-2-oxo-12-dihydropyridine-3-carbonitrile

SMILES

Cc1ccc(/C=N/N(C(C)=CC(C)=C2C#N)C2=O)s1

InChI

InChI=1S/C14H13N3OS/c1-9-6-10(2)17(14(18)13(9)7-15)16-8-12-5-4-11(3)19-12/h4-6,8H,1-3H3

InChI Key

RGMUKOOFFHQVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.638

Distribution Coefficient, logD

2.366

Water Solubility, LogSw

-2.87

Polar Surface Area

43.917

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4111-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1459?
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What is the minimum amount of 4111-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1459
  • 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 4111-1459 available by request