C706-0043 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C706-0043 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
C706-0043 Screening compound: 2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C706-0043
2-[6-(diethylsulfamoyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-methoxyphenyl)methyl]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

C706-0043

Molecular Formula

C22H27N3O5S2 (C22 H27 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)cc(N2CC(NCc(cc3)ccc3OC)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C22H27N3O5S2/c1-4-24(5-2)32(28,29)18-10-11-20-19(12-18)25(22(27)15-31-20)14-21(26)23-13-16-6-8-17(30-3)9-7-16/h6-12H,4-5,13-15H2,1-3H3,(H,23,26)

InChI Key

MDPKSFUBUATLJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.585

Water Solubility, LogSw

-3.05

Polar Surface Area

78.731

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with C706-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C706-0043?
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What is the minimum amount of C706-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C706-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C706-0043
  • 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 C706-0043 available by request