D257-0796 Screening compound: N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D257-0796 Screening compound: N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D257-0796 Screening compound: N~1~-[2-morpholino-5-(trifluoromethyl)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 D257-0796
N~1~-[2-morpholino-5-(trifluoromethyl)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

D257-0796

Molecular Formula

C20H18F3N3O5S (C20 H18 F3 N3 O5 S)

Compound Name

N~1~-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cc(C(F)(F)F)cc1)c1N1CCOCC1

InChI

InChI=1S/C20H18F3N3O5S/c21-20(22,23)13-5-6-16(25-7-9-31-10-8-25)15(11-13)24-18(27)12-26-19(28)14-3-1-2-4-17(14)32(26,29)30/h1-6,11H,7-10,12H2,(H,24,27)

InChI Key

JCNMGRVOQBJIII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03484621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-3.25

Polar Surface Area

78.695

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D257-0796 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D257-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D257-0796?
Check Price and Availability of D257-0796, 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 D257-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D257-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D257-0796
  • 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 D257-0796 available by request