Y031-4747 Screening compound: 1-(4-chlorophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

Y031-4747 Screening compound: 1-(4-chlorophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
Y031-4747 Screening compound: 1-(4-chlorophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4747
1-(4-chlorophenyl)-N-ethyl-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

Y031-4747

Molecular Formula

C13H15ClN2O2 (C13 H15 ClN2 O2)

Compound Name

1-(4-chlorophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(4-chlorophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide

SMILES

CCNC(C(CC1=O)CN1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C13H15ClN2O2/c1-2-15-13(18)9-7-12(17)16(8-9)11-5-3-10(14)4-6-11/h3-6,9H,2,7-8H2,1H3,(H,15,18)/t9-/m1/s1

InChI Key

ZKRBASAWCAWBEI-SECBINFHSA-N

MDL Number (MFCD)

MFCD01426501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.542

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.62

Polar Surface Area

41.299

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

Y031-4747 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-4747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4747?
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What is the minimum amount of Y031-4747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4747
  • 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 Y031-4747 available by request