C534-0030 Screening compound: N-(3-chlorophenyl)-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

C534-0030 Screening compound: N-(3-chlorophenyl)-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
C534-0030 Screening compound: N-(3-chlorophenyl)-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0030
N-(3-chlorophenyl)-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]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

C534-0030

Molecular Formula

C20H22ClN3O5S (C20 H22 ClN3 O5 S)

Compound Name

N-(3-chlorophenyl)-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-(3-chlorophenyl)-2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

CCN(CC)S(c(cc1)cc(N2CC(Nc3cccc(Cl)c3)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C20H22ClN3O5S/c1-3-23(4-2)30(27,28)16-8-9-18-17(11-16)24(20(26)13-29-18)12-19(25)22-15-7-5-6-14(21)10-15/h5-11H,3-4,12-13H2,1-2H3,(H,22,25)

InChI Key

KPICCNJAYLHNCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.155

Water Solubility, LogSw

-3.45

Polar Surface Area

78.314

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with C534-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0030?
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What is the minimum amount of C534-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0030
  • 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 C534-0030 available by request