C534-0073 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide

C534-0073 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide
C534-0073 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0073
2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2,2-dimethoxyethyl)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

C534-0073

Molecular Formula

C18H27N3O7S (C18 H27 N3 O7 S)

Compound Name

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

IUPAC name

2-[6-(diethylsulfamoyl)-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-(22-dimethoxyethyl)acetamide

SMILES

CCN(CC)S(c(cc1)cc(N2CC(NCC(OC)OC)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C18H27N3O7S/c1-5-20(6-2)29(24,25)13-7-8-15-14(9-13)21(17(23)12-28-15)11-16(22)19-10-18(26-3)27-4/h7-9,18H,5-6,10-12H2,1-4H3,(H,19,22)

InChI Key

QSHRKMKEDIOWNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.067

Distribution Coefficient, logD

-0.067

Water Solubility, LogSw

-2.59

Polar Surface Area

95.402

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C534-0073 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C534-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0073?
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What is the minimum amount of C534-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0073
  • 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 C534-0073 available by request