D398-0021 Screening compound: 5-methyl-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0021 Screening compound: 5-methyl-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0021 Screening compound: 5-methyl-3-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0021
5-methyl-3-[2-(thiophen-2-yl)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

D398-0021

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C(N(CCC2)C2c2cccs2)=O)no1

InChI

InChI=1S/C13H14N2O2S/c1-9-8-10(14-17-9)13(16)15-6-2-4-11(15)12-5-3-7-18-12/h3,5,7-8,11H,2,4,6H2,1H3/t11-/m0/s1

InChI Key

AIOFKRUDNCDOQY-NSHDSACASA-N

MDL Number (MFCD)

MFCD17583227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

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

2.285

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-2.57

Polar Surface Area

38.922

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

D398-0021 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0021?
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What is the minimum amount of D398-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0021
  • 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 D398-0021 available by request