Y031-5294 Screening compound: 1-butyl-N-{4-[(2,5-dimethylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

Y031-5294 Screening compound: 1-butyl-N-{4-[(2,5-dimethylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide
Y031-5294 Screening compound: 1-butyl-N-{4-[(2,5-dimethylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5294
1-butyl-N-{4-[(2,5-dimethylphenyl)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

Y031-5294

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

1-butyl-N-{4-[(2,5-dimethylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-butyl-N-{4-[(25-dimethylphenyl)carbamoyl]phenyl}-5-oxopyrrolidine-3-carboxamide

SMILES

CCCCN(CC(C1)C(Nc(cc2)ccc2C(Nc2c(C)ccc(C)c2)=O)=O)C1=O

InChI

InChI=1S/C24H29N3O3/c1-4-5-12-27-15-19(14-22(27)28)24(30)25-20-10-8-18(9-11-20)23(29)26-21-13-16(2)6-7-17(21)3/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,25,30)(H,26,29)/t19-/m1/s1

InChI Key

VBGRMFGSLVNIPQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08598297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.08

Polar Surface Area

63.169

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y031-5294 in Drug Discovery

Included in Screening Libraries

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 Y031-5294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5294?
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What is the minimum amount of Y031-5294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5294
  • 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 Y031-5294 available by request