4111-1451 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2-dihydropyridine-3-carbonitrile

4111-1451 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2-dihydropyridine-3-carbonitrile
4111-1451 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1451
4,6-dimethyl-2-oxo-1-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]-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

4111-1451

Molecular Formula

C18H19N3O4 (C18 H19 N3 O4)

Compound Name

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

IUPAC name

46-dimethyl-2-oxo-1-[(E)-[(345-trimethoxyphenyl)methylidene]amino]-12-dihydropyridine-3-carbonitrile

SMILES

CC(C=C(C)N(C1=O)/N=C/c(cc2OC)cc(OC)c2OC)=C1C#N

InChI

InChI=1S/C18H19N3O4/c1-11-6-12(2)21(18(22)14(11)9-19)20-10-13-7-15(23-3)17(25-5)16(8-13)24-4/h6-8,10H,1-5H3

InChI Key

DHORTVBPLYGEIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00086584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.878

Distribution Coefficient, logD

0.568

Water Solubility, LogSw

-2.09

Polar Surface Area

65.876

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4111-1451 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4111-1451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1451?
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What is the minimum amount of 4111-1451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1451
  • 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 4111-1451 available by request