D398-0996 Screening compound: 4-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-1,2-oxazole

D398-0996 Screening compound: 4-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-1,2-oxazole
D398-0996 Screening compound: 4-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0996
4-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-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

D398-0996

Molecular Formula

C16H17FN2O2 (C16 H17 FN2 O2)

Compound Name

4-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-3,5-dimethyl-1,2-oxazole

IUPAC name

4-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]-35-dimethyl-12-oxazole

SMILES

Cc1noc(C)c1C(N(CCC1)C1c1cccc(F)c1)=O

InChI

InChI=1S/C16H17FN2O2/c1-10-15(11(2)21-18-10)16(20)19-8-4-7-14(19)12-5-3-6-13(17)9-12/h3,5-6,9,14H,4,7-8H2,1-2H3/t14-/m0/s1

InChI Key

RHMPFJUUETUYEL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27583494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.32

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

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.63

Polar Surface Area

38.713

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D398-0996 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Fragments
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0996?
Check Price and Availability of D398-0996, 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 D398-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0996
  • 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 D398-0996 available by request