P491-4168 Screening compound: 2-(4-chlorophenyl)-1-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

P491-4168 Screening compound: 2-(4-chlorophenyl)-1-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
P491-4168 Screening compound: 2-(4-chlorophenyl)-1-{[(5-fluoro-2-methylphenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-4168
2-(4-chlorophenyl)-1-{[(5-fluoro-2-methylphenyl)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

P491-4168

Molecular Formula

C21H18ClFN4O3 (C21 H18 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(F)c1)c1NC(CN(C(c(cc1)ccc1Cl)=NC=C1C(NC)=O)C1=O)=O

InChI

InChI=1S/C21H18ClFN4O3/c1-12-3-8-15(23)9-17(12)26-18(28)11-27-19(13-4-6-14(22)7-5-13)25-10-16(21(27)30)20(29)24-2/h3-10H,11H2,1-2H3,(H,24,29)(H,26,28)

InChI Key

CVWCGEXBJSXZRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.138

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-3.25

Polar Surface Area

72.626

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with P491-4168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-4168?
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What is the minimum amount of P491-4168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-4168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-4168
  • 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 P491-4168 available by request