D398-0497 Screening compound: 5-(furan-2-yl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0497 Screening compound: 5-(furan-2-yl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0497 Screening compound: 5-(furan-2-yl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0497
5-(furan-2-yl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

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

D398-0497

Molecular Formula

C19H18N2O4 (C19 H18 N2 O4)

Compound Name

5-(furan-2-yl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

IUPAC name

5-(furan-2-yl)-3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-12-oxazole

SMILES

COc1ccc(C(CCC2)N2C(c2noc(-c3ccco3)c2)=O)cc1

InChI

InChI=1S/C19H18N2O4/c1-23-14-8-6-13(7-9-14)16-4-2-10-21(16)19(22)15-12-18(25-20-15)17-5-3-11-24-17/h3,5-9,11-12,16H,2,4,10H2,1H3/t16-/m0/s1

InChI Key

AQHYAXJPXFNLPJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10430775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.15

Polar Surface Area

54.333

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

-7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D398-0497 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D398-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0497?
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What is the minimum amount of D398-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0497
  • 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 D398-0497 available by request