4721-0894 Screening compound: 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

4721-0894 Screening compound: 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
4721-0894 Screening compound: 1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4721-0894
1-(4-bromophenyl)-N-(3-methoxyphenyl)-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

4721-0894

Molecular Formula

C18H17BrN2O3 (C18 H17 BrN2 O3)

Compound Name

1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

COc1cccc(NC(C(CC2=O)CN2c(cc2)ccc2Br)=O)c1

InChI

InChI=1S/C18H17BrN2O3/c1-24-16-4-2-3-14(10-16)20-18(23)12-9-17(22)21(11-12)15-7-5-13(19)6-8-15/h2-8,10,12H,9,11H2,1H3,(H,20,23)/t12-/m1/s1

InChI Key

AKYNFYGEESIORZ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00686578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.159

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.28

Polar Surface Area

47.623

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

4721-0894 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4721-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4721-0894?
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What is the minimum amount of 4721-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4721-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4721-0894
  • 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 4721-0894 available by request