7641-0014 Screening compound: 3-[4-(morpholinosulfonyl)anilino]-1H-1,2-benzisothiazole-1,1-dione

7641-0014 Screening compound: 3-[4-(morpholinosulfonyl)anilino]-1H-1,2-benzisothiazole-1,1-dione
7641-0014 Screening compound: 3-[4-(morpholinosulfonyl)anilino]-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7641-0014
3-[4-(morpholinosulfonyl)anilino]-1H-1,2-benzisothiazole-1,1-dione

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

7641-0014

Molecular Formula

C17H17N3O5S2 (C17 H17 N3 O5 S2)

Compound Name

3-[4-(morpholinosulfonyl)anilino]-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-1lambda62-benzothiazole-11-dione

SMILES

O=S(c(cc1)ccc1NC(c1c2cccc1)=NS2(=O)=O)(N1CCOCC1)=O

InChI

InChI=1S/C17H17N3O5S2/c21-26(22)16-4-2-1-3-15(16)17(19-26)18-13-5-7-14(8-6-13)27(23,24)20-9-11-25-12-10-20/h1-8H,9-12H2,(H,18,19)

InChI Key

XAUIZAFIIFQVJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.353

Distribution Coefficient, logD

0.770

Water Solubility, LogSw

-2.35

Polar Surface Area

90.464

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

7641-0014 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7641-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7641-0014?
Check Price and Availability of 7641-0014, 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 7641-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7641-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7641-0014
  • 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 7641-0014 available by request