D283-0056 Screening compound: N~1~-(3-quinolyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

D283-0056 Screening compound: N~1~-(3-quinolyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide
D283-0056 Screening compound: N~1~-(3-quinolyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D283-0056
N~1~-(3-quinolyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

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

D283-0056

Molecular Formula

C19H15N3O4S (C19 H15 N3 O4 S)

Compound Name

N~1~-(3-quinolyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

IUPAC name

N-(quinolin-3-yl)-3-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)propanamide

SMILES

O=C(CCN(C(c1c2cccc1)=O)S2(=O)=O)Nc1cc2ccccc2nc1

InChI

InChI=1S/C19H15N3O4S/c23-18(21-14-11-13-5-1-3-7-16(13)20-12-14)9-10-22-19(24)15-6-2-4-8-17(15)27(22,25)26/h1-8,11-12H,9-10H2,(H,21,23)

InChI Key

SDOLXPZSXCGPBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

1.762

Water Solubility, LogSw

-2.81

Polar Surface Area

77.164

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D283-0056 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D283-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D283-0056?
Check Price and Availability of D283-0056, 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 D283-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D283-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D283-0056
  • 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 D283-0056 available by request