Y031-4537 Screening compound: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(pyrimidin-2-yl)piperidine-4-carboxamide

Y031-4537 Screening compound: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(pyrimidin-2-yl)piperidine-4-carboxamide
Y031-4537 Screening compound: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(pyrimidin-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4537
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(pyrimidin-2-yl)piperidine-4-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

Y031-4537

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(pyrimidin-2-yl)piperidine-4-carboxamide

IUPAC name

1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(pyrimidin-2-yl)piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1N(CC(C1)C(N(CC2)CCC2C(Nc2ncccn2)=O)=O)C1=O

InChI

InChI=1S/C22H25N5O3/c1-15-3-5-18(6-4-15)27-14-17(13-19(27)28)21(30)26-11-7-16(8-12-26)20(29)25-22-23-9-2-10-24-22/h2-6,9-10,16-17H,7-8,11-14H2,1H3,(H,23,24,25,29)/t17-/m1/s1

InChI Key

CTOQUHSPJVUBBJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD08091536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.727

Distribution Coefficient, logD

0.719

Water Solubility, LogSw

-1.67

Polar Surface Area

77.297

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y031-4537 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-4537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4537?
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What is the minimum amount of Y031-4537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4537
  • 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 Y031-4537 available by request