C534-0069 Screening compound: ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate

C534-0069 Screening compound: ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate
C534-0069 Screening compound: ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0069
ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate

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

C534-0069

Molecular Formula

C23H27N3O7S (C23 H27 N3 O7 S)

Compound Name

ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamido}benzoate

SMILES

CCN(CC)S(c(cc1)cc(N2CC(Nc(cc3)ccc3C(OCC)=O)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C23H27N3O7S/c1-4-25(5-2)34(30,31)18-11-12-20-19(13-18)26(22(28)15-33-20)14-21(27)24-17-9-7-16(8-10-17)23(29)32-6-3/h7-13H,4-6,14-15H2,1-3H3,(H,24,27)

InChI Key

DIOFZUSQIQFYHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.58

Polar Surface Area

99.068

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with C534-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0069?
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What is the minimum amount of C534-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0069
  • 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 C534-0069 available by request