Y031-5097 Screening compound: N-{4-[(5-chloropyridin-2-yl)carbamoyl]phenyl}-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide

Y031-5097 Screening compound: N-{4-[(5-chloropyridin-2-yl)carbamoyl]phenyl}-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide
Y031-5097 Screening compound: N-{4-[(5-chloropyridin-2-yl)carbamoyl]phenyl}-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5097
N-{4-[(5-chloropyridin-2-yl)carbamoyl]phenyl}-5-oxo-1-(propan-2-yl)pyrrolidine-3-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

Y031-5097

Molecular Formula

C20H21ClN4O3 (C20 H21 ClN4 O3)

Compound Name

N-{4-[(5-chloropyridin-2-yl)carbamoyl]phenyl}-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide

IUPAC name

N-{4-[(5-chloropyridin-2-yl)carbamoyl]phenyl}-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide

SMILES

CC(C)N(CC(C1)C(Nc(cc2)ccc2C(Nc(cc2)ncc2Cl)=O)=O)C1=O

InChI

InChI=1S/C20H21ClN4O3/c1-12(2)25-11-14(9-18(25)26)20(28)23-16-6-3-13(4-7-16)19(27)24-17-8-5-15(21)10-22-17/h3-8,10,12,14H,9,11H2,1-2H3,(H,23,28)(H,22,24,27)/t14-/m0/s1

InChI Key

QYIBFWUSMARPHZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08129924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

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

2.784

Distribution Coefficient, logD

2.434

Water Solubility, LogSw

-3.61

Polar Surface Area

73.479

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y031-5097 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with Y031-5097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5097?
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What is the minimum amount of Y031-5097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5097
  • 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 Y031-5097 available by request