8017-4387 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-fluoro-5-methylphenyl)acetamide

8017-4387 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-fluoro-5-methylphenyl)acetamide
8017-4387 Screening compound: 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-fluoro-5-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4387
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-fluoro-5-methylphenyl)acetamide

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

8017-4387

Molecular Formula

C17H14ClFN2O3 (C17 H14 ClFN2 O3)

Compound Name

2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2-fluoro-5-methylphenyl)acetamide

IUPAC name

2-(6-chloro-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-(2-fluoro-5-methylphenyl)acetamide

SMILES

Cc(cc1)cc(NC(CN2c(cc(cc3)Cl)c3OCC2=O)=O)c1F

InChI

InChI=1S/C17H14ClFN2O3/c1-10-2-4-12(19)13(6-10)20-16(22)8-21-14-7-11(18)3-5-15(14)24-9-17(21)23/h2-7H,8-9H2,1H3,(H,20,22)

InChI Key

JUTOQAKABYLGML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.029

Water Solubility, LogSw

-3.37

Polar Surface Area

46.520

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 8017-4387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4387?
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What is the minimum amount of 8017-4387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4387
  • 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 8017-4387 available by request