4339-0457 Screening compound: 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4339-0457 Screening compound: 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4339-0457 Screening compound: 4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4339-0457
4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

4339-0457

Molecular Formula

C19H18ClN3O2 (C19 H18 ClN3 O2)

Compound Name

4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(4-chlorophenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

Cc(cccc1)c1NC(C(C(c(cc1)ccc1Cl)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C19H18ClN3O2/c1-11-5-3-4-6-15(11)22-18(24)16-12(2)21-19(25)23-17(16)13-7-9-14(20)10-8-13/h3-10,17H,1-2H3,(H,22,24)(H2,21,23,25)/t17-/m0/s1

InChI Key

HBXCZQPIGKPGNN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01126830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-3.62

Polar Surface Area

58.085

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

4339-0457 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4339-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4339-0457?
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What is the minimum amount of 4339-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4339-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4339-0457
  • 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 4339-0457 available by request