6399-0017 Screening compound: 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

6399-0017 Screening compound: 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
6399-0017 Screening compound: 3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6399-0017
3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

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

6399-0017

Molecular Formula

C12H12ClNO2 (C12 H12 ClNO2)

Compound Name

3-(3-chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

IUPAC name

3-(3-chlorophenyl)-55-dimethyl-4-methylidene-13-oxazolidin-2-one

SMILES

CC(C)(C(N1c2cccc(Cl)c2)=C)OC1=O

InChI

InChI=1S/C12H12ClNO2/c1-8-12(2,3)16-11(15)14(8)10-6-4-5-9(13)7-10/h4-7H,1H2,2-3H3

InChI Key

PCPWYLAWNWKKEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04335466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.69

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.286

Water Solubility, LogSw

-3.65

Polar Surface Area

22.876

Acid Dissociation Constant (pKa)

30.44

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6399-0017 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6399-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6399-0017?
Check Price and Availability of 6399-0017, 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 6399-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6399-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6399-0017
  • 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 6399-0017 available by request