8016-9175 Screening compound: 3-acetyl-2-(2-fluoroanilino)-6-methyl-4H-pyran-4-one

8016-9175 Screening compound: 3-acetyl-2-(2-fluoroanilino)-6-methyl-4H-pyran-4-one
8016-9175 Screening compound: 3-acetyl-2-(2-fluoroanilino)-6-methyl-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9175
3-acetyl-2-(2-fluoroanilino)-6-methyl-4H-pyran-4-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

8016-9175

Molecular Formula

C14H12FNO3 (C14 H12 FNO3)

Compound Name

3-acetyl-2-(2-fluoroanilino)-6-methyl-4H-pyran-4-one

IUPAC name

3-acetyl-2-[(2-fluorophenyl)amino]-6-methyl-4H-pyran-4-one

SMILES

CC(C1=C(Nc(cccc2)c2F)OC(C)=CC1=O)=O

InChI

InChI=1S/C14H12FNO3/c1-8-7-12(18)13(9(2)17)14(19-8)16-11-6-4-3-5-10(11)15/h3-7,16H,1-2H3

InChI Key

KKAZDHKHIVOSPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-2.36

Polar Surface Area

44.551

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8016-9175 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-9175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9175?
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What is the minimum amount of 8016-9175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9175
  • 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 8016-9175 available by request