8008-1088 Screening compound: N~1~-(4-{[1-benzoyl-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]sulfonyl}phenyl)acetamide

8008-1088 Screening compound: N~1~-(4-{[1-benzoyl-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]sulfonyl}phenyl)acetamide
8008-1088 Screening compound: N~1~-(4-{[1-benzoyl-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]sulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1088
N~1~-(4-{[1-benzoyl-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]sulfonyl}phenyl)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

8008-1088

Molecular Formula

C22H18N4O6S2 (C22 H18 N4 O6 S2)

Compound Name

N~1~-(4-{[1-benzoyl-2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazino]sulfonyl}phenyl)acetamide

IUPAC name

N-[4-({N-[N'-(11-dioxo-1lambda62-benzothiazol-3-yl)amino]-1-phenylformamido}sulfonyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(N(C(c1ccccc1)=O)NC(c1c2cccc1)=NS2(=O)=O)(=O)=O)=O

InChI

InChI=1S/C22H18N4O6S2/c1-15(27)23-17-11-13-18(14-12-17)34(31,32)26(22(28)16-7-3-2-4-8-16)24-21-19-9-5-6-10-20(19)33(29,30)25-21/h2-14H,1H3,(H,23,27)(H,24,25)

InChI Key

FOEKALUVIWOTFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01204241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

0.053

Water Solubility, LogSw

-2.52

Polar Surface Area

118.253

Acid Dissociation Constant (pKa)

5.93

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8008-1088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1088?
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What is the minimum amount of 8008-1088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1088
  • 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 8008-1088 available by request