D398-0219 Screening compound: 3-(3-methoxyphenyl)-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0219 Screening compound: 3-(3-methoxyphenyl)-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0219 Screening compound: 3-(3-methoxyphenyl)-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0219
3-(3-methoxyphenyl)-5-[2-(4-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

D398-0219

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(CCC2)N2C(c2cc(-c3cc(OC)ccc3)no2)=O)cc1

InChI

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

InChI Key

SFLZBQINJRUKCK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD10702557

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

4.547

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.36

Polar Surface Area

45.754

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D398-0219 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 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

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

References: we are preparing a list of scientific research reports with D398-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0219?
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What is the minimum amount of D398-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0219
  • 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 D398-0219 available by request