D398-0103 Screening compound: 3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(thiophen-2-yl)-1,2-oxazole

D398-0103 Screening compound: 3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(thiophen-2-yl)-1,2-oxazole
D398-0103 Screening compound: 3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(thiophen-2-yl)-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0103
3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(thiophen-2-yl)-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

D398-0103

Molecular Formula

C18H15ClN2O2S (C18 H15 ClN2 O2 S)

Compound Name

3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(thiophen-2-yl)-1,2-oxazole

IUPAC name

3-[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]-5-(thiophen-2-yl)-12-oxazole

SMILES

O=C(c1noc(-c2cccs2)c1)N(CCC1)C1c(cc1)ccc1Cl

InChI

InChI=1S/C18H15ClN2O2S/c19-13-7-5-12(6-8-13)15-3-1-9-21(15)18(22)14-11-16(23-20-14)17-4-2-10-24-17/h2,4-8,10-11,15H,1,3,9H2/t15-/m0/s1

InChI Key

HDFQGOUWFPXBCQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD10702571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.88

Polar Surface Area

39.229

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

-6.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D398-0103 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer

References: we are preparing a list of scientific research reports with D398-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0103?
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What is the minimum amount of D398-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0103
  • 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 D398-0103 available by request