D398-0316 Screening compound: 5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-3-phenyl-1,2-oxazole

D398-0316 Screening compound: 5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-3-phenyl-1,2-oxazole
D398-0316 Screening compound: 5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-3-phenyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0316
5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-3-phenyl-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

D398-0316

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-3-phenyl-1,2-oxazole

IUPAC name

5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-3-phenyl-12-oxazole

SMILES

Cc1cccc(C(CCC2)N2C(c2cc(-c3ccccc3)no2)=O)c1

InChI

InChI=1S/C21H20N2O2/c1-15-7-5-10-17(13-15)19-11-6-12-23(19)21(24)20-14-18(22-25-20)16-8-3-2-4-9-16/h2-5,7-10,13-14,19H,6,11-12H2,1H3/t19-/m0/s1

InChI Key

YVLSQUXWMHLIKH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10702619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.35

Polar Surface Area

38.210

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D398-0316 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D398-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0316?
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What is the minimum amount of D398-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0316
  • 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 D398-0316 available by request