Y031-5344 Screening compound: 1-butyl-N-{4-[ethyl(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

Y031-5344 Screening compound: 1-butyl-N-{4-[ethyl(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide
Y031-5344 Screening compound: 1-butyl-N-{4-[ethyl(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5344
1-butyl-N-{4-[ethyl(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-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

Y031-5344

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

1-butyl-N-{4-[ethyl(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-butyl-N-{4-[ethyl(3-methylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

SMILES

CCCCN(CC(C1)C(Nc(cc2)ccc2C(N(CC)c2cc(C)ccc2)=O)=O)C1=O

InChI

InChI=1S/C25H31N3O3/c1-4-6-14-27-17-20(16-23(27)29)24(30)26-21-12-10-19(11-13-21)25(31)28(5-2)22-9-7-8-18(3)15-22/h7-13,15,20H,4-6,14,16-17H2,1-3H3,(H,26,30)/t20-/m1/s1

InChI Key

WUVDUOVGEFXZBG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD08598513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.56

Polar Surface Area

56.123

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y031-5344 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with Y031-5344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5344?
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What is the minimum amount of Y031-5344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5344
  • 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 Y031-5344 available by request