Y031-5268 Screening compound: 1-butyl-5-oxo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)pyrrolidine-3-carboxamide

Y031-5268 Screening compound: 1-butyl-5-oxo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)pyrrolidine-3-carboxamide
Y031-5268 Screening compound: 1-butyl-5-oxo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5268
1-butyl-5-oxo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)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

Y031-5268

Molecular Formula

C21H29N3O4 (C21 H29 N3 O4)

Compound Name

1-butyl-5-oxo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)pyrrolidine-3-carboxamide

IUPAC name

1-butyl-5-oxo-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)pyrrolidine-3-carboxamide

SMILES

CCCCN(CC(C1)C(Nc(cc2)ccc2C(NCC2OCCC2)=O)=O)C1=O

InChI

InChI=1S/C21H29N3O4/c1-2-3-10-24-14-16(12-19(24)25)21(27)23-17-8-6-15(7-9-17)20(26)22-13-18-5-4-11-28-18/h6-9,16,18H,2-5,10-14H2,1H3,(H,22,26)(H,23,27)

InChI Key

AJOJITPXSCHZFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08598232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.849

Distribution Coefficient, logD

0.847

Water Solubility, LogSw

-2.01

Polar Surface Area

73.843

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

Y031-5268 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-5268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5268?
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What is the minimum amount of Y031-5268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5268
  • 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 Y031-5268 available by request