P491-4591 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

P491-4591 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
P491-4591 Screening compound: 1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-4591
1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-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

P491-4591

Molecular Formula

C21H18ClFN4O4 (C21 H18 ClFN4 O4)

Compound Name

1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

IUPAC name

1-{[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-16-dihydropyrimidine-5-carboxamide

SMILES

CNC(C1=CN=C(c(cc2)ccc2F)N(CC(Nc(cc(cc2)Cl)c2OC)=O)C1=O)=O

InChI

InChI=1S/C21H18ClFN4O4/c1-24-20(29)15-10-25-19(12-3-6-14(23)7-4-12)27(21(15)30)11-18(28)26-16-9-13(22)5-8-17(16)31-2/h3-10H,11H2,1-2H3,(H,24,29)(H,26,28)

InChI Key

MPPHBCJCDMLNLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-3.13

Polar Surface Area

80.256

Acid Dissociation Constant (pKa)

9.70

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 P491-4591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-4591?
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What is the minimum amount of P491-4591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-4591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-4591
  • 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 P491-4591 available by request