D034-0287 Screening compound: N~1~-[2-(morpholinocarbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D034-0287 Screening compound: N~1~-[2-(morpholinocarbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D034-0287 Screening compound: N~1~-[2-(morpholinocarbonyl)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 D034-0287
N~1~-[2-(morpholinocarbonyl)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

D034-0287

Molecular Formula

C20H19N3O6S (C20 H19 N3 O6 S)

Compound Name

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

IUPAC name

N-[2-(morpholine-4-carbonyl)phenyl]-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cccc1)c1C(N1CCOCC1)=O

InChI

InChI=1S/C20H19N3O6S/c24-18(13-23-20(26)15-6-2-4-8-17(15)30(23,27)28)21-16-7-3-1-5-14(16)19(25)22-9-11-29-12-10-22/h1-8H,9-13H2,(H,21,24)

InChI Key

JOCBJKQODFXGSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04362051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.322

Distribution Coefficient, logD

0.322

Water Solubility, LogSw

-2.45

Polar Surface Area

92.192

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D034-0287 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D034-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0287?
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What is the minimum amount of D034-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0287
  • 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 D034-0287 available by request