D398-0210 Screening compound: 5-methyl-3-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0210 Screening compound: 5-methyl-3-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0210 Screening compound: 5-methyl-3-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0210
5-methyl-3-[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

D398-0210

Molecular Formula

C16H18N2O2 (C16 H18 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(N(CCC2)C2c2ccc(C)cc2)=O)no1

InChI

InChI=1S/C16H18N2O2/c1-11-5-7-13(8-6-11)15-4-3-9-18(15)16(19)14-10-12(2)20-17-14/h5-8,10,15H,3-4,9H2,1-2H3/t15-/m0/s1

InChI Key

LYJVKSICIYWDOO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14826377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-2.95

Polar Surface Area

37.903

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D398-0210 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 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:
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0210?
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What is the minimum amount of D398-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0210
  • 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 D398-0210 available by request