D398-0414 Screening compound: 3-methyl-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0414 Screening compound: 3-methyl-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0414 Screening compound: 3-methyl-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0414
3-methyl-5-[2-(2-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

D398-0414

Molecular Formula

C16H18N2O2 (C16 H18 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C(N(CCC2)C2c2c(C)cccc2)=O)c1

InChI

InChI=1S/C16H18N2O2/c1-11-6-3-4-7-13(11)14-8-5-9-18(14)16(19)15-10-12(2)17-20-15/h3-4,6-7,10,14H,5,8-9H2,1-2H3/t14-/m0/s1

InChI Key

JCQCUXGIGOORRJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27583375

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

2.766

Distribution Coefficient, logD

2.766

Water Solubility, LogSw

-2.79

Polar Surface Area

38.288

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D398-0414 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0414?
Check Price and Availability of D398-0414, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D398-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0414
  • 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 D398-0414 available by request