P491-4107 Screening compound: 2-(4-chlorophenyl)-1-{[ethyl(phenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

P491-4107 Screening compound: 2-(4-chlorophenyl)-1-{[ethyl(phenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
P491-4107 Screening compound: 2-(4-chlorophenyl)-1-{[ethyl(phenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-4107
2-(4-chlorophenyl)-1-{[ethyl(phenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-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

P491-4107

Molecular Formula

C22H21ClN4O3 (C22 H21 ClN4 O3)

Compound Name

2-(4-chlorophenyl)-1-{[ethyl(phenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

IUPAC name

2-(4-chlorophenyl)-1-{[ethyl(phenyl)carbamoyl]methyl}-N-methyl-6-oxo-16-dihydropyrimidine-5-carboxamide

SMILES

CCN(C(CN(C(c(cc1)ccc1Cl)=NC=C1C(NC)=O)C1=O)=O)c1ccccc1

InChI

InChI=1S/C22H21ClN4O3/c1-3-26(17-7-5-4-6-8-17)19(28)14-27-20(15-9-11-16(23)12-10-15)25-13-18(22(27)30)21(29)24-2/h4-13H,3,14H2,1-2H3,(H,24,29)

InChI Key

ODBTTXNNZYFLLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-3.21

Polar Surface Area

65.266

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P491-4107 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 P491-4107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-4107?
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What is the minimum amount of P491-4107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-4107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-4107
  • 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 P491-4107 available by request