C798-0327 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide

C798-0327 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide
C798-0327 Screening compound: 4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0327
4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide

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

C798-0327

Molecular Formula

C19H16F4N2O3 (C19 H16 F4 N2 O3)

Compound Name

4-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-(2,3,5,6-tetrafluorophenyl)butanamide

IUPAC name

4-(6-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl)-N-(2356-tetrafluorophenyl)butanamide

SMILES

Cc(cc1)cc(N2CCCC(Nc(c(F)c(cc3F)F)c3F)=O)c1OCC2=O

InChI

InChI=1S/C19H16F4N2O3/c1-10-4-5-14-13(7-10)25(16(27)9-28-14)6-2-3-15(26)24-19-17(22)11(20)8-12(21)18(19)23/h4-5,7-8H,2-3,6,9H2,1H3,(H,24,26)

InChI Key

LWUDSHLAOWHOQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

0.065

Water Solubility, LogSw

-2.91

Polar Surface Area

45.800

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C798-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0327?
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What is the minimum amount of C798-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0327
  • 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 C798-0327 available by request