D398-0986 Screening compound: 3-(2-fluorophenyl)-5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-1,2-oxazole

D398-0986 Screening compound: 3-(2-fluorophenyl)-5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-1,2-oxazole
D398-0986 Screening compound: 3-(2-fluorophenyl)-5-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0986
3-(2-fluorophenyl)-5-[2-(3-fluorophenyl)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

D398-0986

Molecular Formula

C20H16F2N2O2 (C20 H16 F2 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(-c(cccc2)c2F)no1)N(CCC1)C1c1cc(F)ccc1

InChI

InChI=1S/C20H16F2N2O2/c21-14-6-3-5-13(11-14)18-9-4-10-24(18)20(25)19-12-17(23-26-19)15-7-1-2-8-16(15)22/h1-3,5-8,11-12,18H,4,9-10H2/t18-/m0/s1

InChI Key

UGITVLXGXMPOJB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10702945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

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

4.022

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.18

Polar Surface Area

38.210

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D398-0986 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

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 D398-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0986?
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What is the minimum amount of D398-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0986
  • 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 D398-0986 available by request