4339-0413 Screening compound: N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4339-0413 Screening compound: N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4339-0413 Screening compound: N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4339-0413
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-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

4339-0413

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c2ccccc2)=O)=C1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H16ClN3O2/c1-11-15(17(23)21-14-9-7-13(19)8-10-14)16(22-18(24)20-11)12-5-3-2-4-6-12/h2-10,16H,1H3,(H,21,23)(H2,20,22,24)/t16-/m0/s1

InChI Key

QWMNGZVYFIXETH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01126922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

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

2.815

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.50

Polar Surface Area

58.783

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

4339-0413 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4339-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4339-0413?
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What is the minimum amount of 4339-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4339-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4339-0413
  • 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 4339-0413 available by request