P491-2117 Screening compound: N-cyclopentyl-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

P491-2117 Screening compound: N-cyclopentyl-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
P491-2117 Screening compound: N-cyclopentyl-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-2117
N-cyclopentyl-1-{[(2,4-dimethylphenyl)carbamoyl]methyl}-2-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

P491-2117

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

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

IUPAC name

N-cyclopentyl-1-{[(24-dimethylphenyl)carbamoyl]methyl}-2-methyl-6-oxo-16-dihydropyrimidine-5-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(CN(C(C)=NC=C1C(NC2CCCC2)=O)C1=O)=O

InChI

InChI=1S/C21H26N4O3/c1-13-8-9-18(14(2)10-13)24-19(26)12-25-15(3)22-11-17(21(25)28)20(27)23-16-6-4-5-7-16/h8-11,16H,4-7,12H2,1-3H3,(H,23,27)(H,24,26)

InChI Key

KRFRMGZJCSUXDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

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

2.382

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.77

Polar Surface Area

71.331

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with P491-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-2117?
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What is the minimum amount of P491-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-2117
  • 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 P491-2117 available by request