6423-2792 Screening compound: N~1~-(sec-butyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

6423-2792 Screening compound: N~1~-(sec-butyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide
6423-2792 Screening compound: N~1~-(sec-butyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6423-2792
N~1~-(sec-butyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}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

6423-2792

Molecular Formula

C20H21N3O5S (C20 H21 N3 O5 S)

Compound Name

N~1~-(sec-butyl)-2-{[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]amino}benzamide

IUPAC name

N-(butan-2-yl)-2-[2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamido]benzamide

SMILES

CCC(C)NC(c(cccc1)c1NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O)=O

InChI

InChI=1S/C20H21N3O5S/c1-3-13(2)21-19(25)14-8-4-6-10-16(14)22-18(24)12-23-20(26)15-9-5-7-11-17(15)29(23,27)28/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24)/t13-/m0/s1

InChI Key

LYAFHAJHCRJKRJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04034162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.300

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-2.51

Polar Surface Area

91.762

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6423-2792 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6423-2792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6423-2792?
Check Price and Availability of 6423-2792, 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 6423-2792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6423-2792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6423-2792
  • 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 6423-2792 available by request