8010-6959 Screening compound: 3-[(2,4-difluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

8010-6959 Screening compound: 3-[(2,4-difluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
8010-6959 Screening compound: 3-[(2,4-difluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6959
3-[(2,4-difluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-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

8010-6959

Molecular Formula

C14H15F2NO (C14 H15 F2 NO)

Compound Name

3-[(2,4-difluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

IUPAC name

3-[(24-difluorophenyl)amino]-55-dimethylcyclohex-2-en-1-one

SMILES

CC(C)(C1)CC(Nc(ccc(F)c2)c2F)=CC1=O

InChI

InChI=1S/C14H15F2NO/c1-14(2)7-10(6-11(18)8-14)17-13-4-3-9(15)5-12(13)16/h3-6,17H,7-8H2,1-2H3

InChI Key

XHITZSIFDPYHCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

1.519

Water Solubility, LogSw

-3.26

Polar Surface Area

22.568

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

8010-6959 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-6959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6959?
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What is the minimum amount of 8010-6959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6959
  • 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 8010-6959 available by request