7430-0603 Screening compound: N~1~-{4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-2,5-dimethoxyphenyl}benzamide

7430-0603 Screening compound: N~1~-{4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-2,5-dimethoxyphenyl}benzamide
7430-0603 Screening compound: N~1~-{4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-2,5-dimethoxyphenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7430-0603
N~1~-{4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-2,5-dimethoxyphenyl}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

7430-0603

Molecular Formula

C22H19N3O5S (C22 H19 N3 O5 S)

Compound Name

N~1~-{4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]-2,5-dimethoxyphenyl}benzamide

IUPAC name

N-{4-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]-25-dimethoxyphenyl}benzamide

SMILES

COc(c(NC(c1ccccc1)=O)c1)cc(NC(c2c3cccc2)=NS3(=O)=O)c1OC

InChI

InChI=1S/C22H19N3O5S/c1-29-18-13-17(24-22(26)14-8-4-3-5-9-14)19(30-2)12-16(18)23-21-15-10-6-7-11-20(15)31(27,28)25-21/h3-13H,1-2H3,(H,23,25)(H,24,26)

InChI Key

ZOFWCEZQCXHZBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03847889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-3.77

Polar Surface Area

87.801

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

7430-0603 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7430-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7430-0603?
Check Price and Availability of 7430-0603, 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 7430-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7430-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7430-0603
  • 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 7430-0603 available by request