D034-0274 Screening compound: N~1~-[2-(phenylsulfanyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D034-0274 Screening compound: N~1~-[2-(phenylsulfanyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D034-0274 Screening compound: N~1~-[2-(phenylsulfanyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0274
N~1~-[2-(phenylsulfanyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-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

D034-0274

Molecular Formula

C21H16N2O4S2 (C21 H16 N2 O4 S2)

Compound Name

N~1~-[2-(phenylsulfanyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-[2-(phenylsulfanyl)phenyl]-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cccc1)c1Sc1ccccc1

InChI

InChI=1S/C21H16N2O4S2/c24-20(14-23-21(25)16-10-4-7-13-19(16)29(23,26)27)22-17-11-5-6-12-18(17)28-15-8-2-1-3-9-15/h1-13H,14H2,(H,22,24)

InChI Key

RNEUSUOFBNHQTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04366427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.023

Distribution Coefficient, logD

3.023

Water Solubility, LogSw

-3.63

Polar Surface Area

67.364

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D034-0274 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D034-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0274?
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What is the minimum amount of D034-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0274
  • 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 D034-0274 available by request