D398-0314 Screening compound: 3-(4-methoxyphenyl)-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0314 Screening compound: 3-(4-methoxyphenyl)-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0314 Screening compound: 3-(4-methoxyphenyl)-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0314
3-(4-methoxyphenyl)-5-[2-(3-methylphenyl)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

D398-0314

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(CCC2)N2C(c2cc(-c(cc3)ccc3OC)no2)=O)c1

InChI

InChI=1S/C22H22N2O3/c1-15-5-3-6-17(13-15)20-7-4-12-24(20)22(25)21-14-19(23-27-21)16-8-10-18(26-2)11-9-16/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3/t20-/m0/s1

InChI Key

MGSFATGCQOJEFR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10702697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.707

Water Solubility, LogSw

-4.44

Polar Surface Area

45.754

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D398-0314 in Drug Discovery

Included in Screening Libraries

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 D398-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0314?
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What is the minimum amount of D398-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0314
  • 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 D398-0314 available by request