P491-4651 Screening compound: 1-{[(2-chloro-4-fluorophenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

P491-4651 Screening compound: 1-{[(2-chloro-4-fluorophenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
P491-4651 Screening compound: 1-{[(2-chloro-4-fluorophenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-4651
1-{[(2-chloro-4-fluorophenyl)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

P491-4651

Molecular Formula

C20H15ClF2N4O3 (C20 H15 ClF2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CNC(C1=CN=C(c(cc2)ccc2F)N(CC(Nc(ccc(F)c2)c2Cl)=O)C1=O)=O

InChI

InChI=1S/C20H15ClF2N4O3/c1-24-19(29)14-9-25-18(11-2-4-12(22)5-3-11)27(20(14)30)10-17(28)26-16-7-6-13(23)8-15(16)21/h2-9H,10H2,1H3,(H,24,29)(H,26,28)

InChI Key

YPSJXWBDFYXKAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.81

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

2.084

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-3.12

Polar Surface Area

72.626

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with P491-4651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-4651?
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What is the minimum amount of P491-4651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-4651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-4651
  • 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 P491-4651 available by request