C706-0019 Screening compound: N-benzyl-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

C706-0019 Screening compound: N-benzyl-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
C706-0019 Screening compound: N-benzyl-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C706-0019
N-benzyl-2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-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

C706-0019

Molecular Formula

C21H25N3O4S2 (C21 H25 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)cc(N2CC(NCc3ccccc3)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C21H25N3O4S2/c1-3-23(4-2)30(27,28)17-10-11-19-18(12-17)24(21(26)15-29-19)14-20(25)22-13-16-8-6-5-7-9-16/h5-12H,3-4,13-15H2,1-2H3,(H,22,25)

InChI Key

GXTAYOPHBYTWPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-3.04

Polar Surface Area

71.187

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C706-0019 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C706-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C706-0019?
Check Price and Availability of C706-0019, 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 C706-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C706-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C706-0019
  • 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 C706-0019 available by request