D398-0033 Screening compound: 3-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0033 Screening compound: 3-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0033 Screening compound: 3-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0033
3-methyl-5-[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

D398-0033

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C(N(CCC2)C2c2cccs2)=O)c1

InChI

InChI=1S/C13H14N2O2S/c1-9-8-11(17-14-9)13(16)15-6-2-4-10(15)12-5-3-7-18-12/h3,5,7-8,10H,2,4,6H2,1H3/t10-/m0/s1

InChI Key

SBSVUOYHNRNADA-JTQLQIEISA-N

MDL Number (MFCD)

MFCD17854359

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

1.959

Distribution Coefficient, logD

1.959

Water Solubility, LogSw

-2.30

Polar Surface Area

39.307

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D398-0033 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0033?
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What is the minimum amount of D398-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0033
  • 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 D398-0033 available by request