8018-9994 Screening compound: 4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

8018-9994 Screening compound: 4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
8018-9994 Screening compound: 4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9994
4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-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

8018-9994

Molecular Formula

C15H12FNO2 (C15 H12 FNO2)

Compound Name

4-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-[(4-fluorophenyl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C1N(Cc(cc2)ccc2F)c(cccc2)c2OC1

InChI

InChI=1S/C15H12FNO2/c16-12-7-5-11(6-8-12)9-17-13-3-1-2-4-14(13)19-10-15(17)18/h1-8H,9-10H2

InChI Key

ONLNIXCJLVFFIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08278105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.751

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-3.10

Polar Surface Area

24.068

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8018-9994 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9994?
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What is the minimum amount of 8018-9994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9994
  • 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 8018-9994 available by request