D459-0095 Screening compound: N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide

D459-0095 Screening compound: N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide
D459-0095 Screening compound: N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D459-0095
N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide

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

D459-0095

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanamide

IUPAC name

N-(24-dimethylphenyl)-3-(24-dioxo-1234-tetrahydropyrimidin-1-yl)propanamide

SMILES

Cc(cc1)cc(C)c1NC(CCN(C=CC(N1)=O)C1=O)=O

InChI

InChI=1S/C15H17N3O3/c1-10-3-4-12(11(2)9-10)16-13(19)5-7-18-8-6-14(20)17-15(18)21/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,19)(H,17,20,21)

InChI Key

VJDYGIKKOWGKHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.008

Distribution Coefficient, logD

1.007

Water Solubility, LogSw

-2.02

Polar Surface Area

63.203

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D459-0095 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 D459-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D459-0095?
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What is the minimum amount of D459-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D459-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D459-0095
  • 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 D459-0095 available by request