P491-4555 Screening compound: 2-(4-fluorophenyl)-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

P491-4555 Screening compound: 2-(4-fluorophenyl)-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
P491-4555 Screening compound: 2-(4-fluorophenyl)-1-{[(2-methoxyphenyl)carbamoyl]methyl}-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-4555
2-(4-fluorophenyl)-1-{[(2-methoxyphenyl)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

P491-4555

Molecular Formula

C21H19FN4O4 (C21 H19 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CNC(C1=CN=C(c(cc2)ccc2F)N(CC(Nc(cccc2)c2OC)=O)C1=O)=O

InChI

InChI=1S/C21H19FN4O4/c1-23-20(28)15-11-24-19(13-7-9-14(22)10-8-13)26(21(15)29)12-18(27)25-16-5-3-4-6-17(16)30-2/h3-11H,12H2,1-2H3,(H,23,28)(H,25,27)

InChI Key

GKTOXQZKRMBRGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.4

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

1.404

Distribution Coefficient, logD

1.402

Water Solubility, LogSw

-2.24

Polar Surface Area

80.256

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with P491-4555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-4555?
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What is the minimum amount of P491-4555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-4555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-4555
  • 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 P491-4555 available by request