P491-0973 Screening compound: N~5~-cyclopentyl-6-oxo-1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1,6-dihydro-5-pyrimidinecarboxamide

P491-0973 Screening compound: N~5~-cyclopentyl-6-oxo-1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1,6-dihydro-5-pyrimidinecarboxamide
P491-0973 Screening compound: N~5~-cyclopentyl-6-oxo-1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1,6-dihydro-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-0973
N~5~-cyclopentyl-6-oxo-1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1,6-dihydro-5-pyrimidinecarboxamide

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

P491-0973

Molecular Formula

C17H20N4O3S (C17 H20 N4 O3 S)

Compound Name

N~5~-cyclopentyl-6-oxo-1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1,6-dihydro-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

O=C(CN(C=NC=C1C(NC2CCCC2)=O)C1=O)NCc1cccs1

InChI

InChI=1S/C17H20N4O3S/c22-15(19-8-13-6-3-7-25-13)10-21-11-18-9-14(17(21)24)16(23)20-12-4-1-2-5-12/h3,6-7,9,11-12H,1-2,4-5,8,10H2,(H,19,22)(H,20,23)

InChI Key

LVIQFHVKHYPCKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.967

Distribution Coefficient, logD

0.967

Water Solubility, LogSw

-2.14

Polar Surface Area

76.869

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

P491-0973 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P491-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-0973?
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What is the minimum amount of P491-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-0973
  • 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 P491-0973 available by request