7255-3789 Screening compound: 3-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-1H-1,2-benzisothiazole-1,1-dione

7255-3789 Screening compound: 3-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-1H-1,2-benzisothiazole-1,1-dione
7255-3789 Screening compound: 3-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7255-3789
3-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-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

7255-3789

Molecular Formula

C16H11ClN4O2S3 (C16 H11 ClN4 O2 S3)

Compound Name

3-({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

n/a

SMILES

O=S(c1c2cccc1)(N=C2Nc1nnc(SCc(cccc2)c2Cl)s1)=O

InChI

InChI=1S/C16H11ClN4O2S3/c17-12-7-3-1-5-10(12)9-24-16-20-19-15(25-16)18-14-11-6-2-4-8-13(11)26(22,23)21-14/h1-8H,9H2,(H,18,19,21)

InChI Key

DSFFJHMWBTTWMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05881847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-4.57

Polar Surface Area

73.479

Acid Dissociation Constant (pKa)

6.54

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

7255-3789 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7255-3789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7255-3789?
Check Price and Availability of 7255-3789, 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 7255-3789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7255-3789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7255-3789
  • 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 7255-3789 available by request