6134-2983 Screening compound: N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}-4-(morpholinosulfonyl)benzamide

6134-2983 Screening compound: N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}-4-(morpholinosulfonyl)benzamide
6134-2983 Screening compound: N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}-4-(morpholinosulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6134-2983
N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}-4-(morpholinosulfonyl)benzamide

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

6134-2983

Molecular Formula

C21H24N4O6S2 (C21 H24 N4 O6 S2)

Compound Name

N~1~-{3-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]propyl}-4-(morpholinosulfonyl)benzamide

IUPAC name

N-{3-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]propyl}-4-(morpholine-4-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)NCCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C21H24N4O6S2/c26-21(16-6-8-17(9-7-16)33(29,30)25-12-14-31-15-13-25)23-11-3-10-22-20-18-4-1-2-5-19(18)32(27,28)24-20/h1-2,4-9H,3,10-15H2,(H,22,24)(H,23,26)

InChI Key

KCNBTELRONUJGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03999965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.255

Distribution Coefficient, logD

0.255

Water Solubility, LogSw

-2.34

Polar Surface Area

116.154

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6134-2983 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6134-2983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6134-2983?
Check Price and Availability of 6134-2983, 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 6134-2983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6134-2983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6134-2983
  • 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 6134-2983 available by request