C534-0081 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide

C534-0081 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide
C534-0081 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C534-0081
2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(2-phenylethyl)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

C534-0081

Molecular Formula

C22H27N3O5S (C22 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)cc(N2CC(NCCc3ccccc3)=O)c1OCC2=O)(=O)=O

InChI

InChI=1S/C22H27N3O5S/c1-3-24(4-2)31(28,29)18-10-11-20-19(14-18)25(22(27)16-30-20)15-21(26)23-13-12-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,23,26)

InChI Key

FTPSCMQIGPFEMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.754

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.67

Polar Surface Area

79.478

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C534-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C534-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C534-0081?
Check Price and Availability of C534-0081, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C534-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C534-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C534-0081
  • 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 C534-0081 available by request