3448-3637 Screening compound: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

3448-3637 Screening compound: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
3448-3637 Screening compound: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-3637
2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

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

3448-3637

Molecular Formula

C14H12N2O3S2 (C14 H12 N2 O3 S2)

Compound Name

2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid

IUPAC name

2-(4-aminophenyl)-6-methyl-13-benzothiazole-7-sulfonic acid

SMILES

Cc(ccc1c2sc(-c(cc3)ccc3N)n1)c2S(O)(=O)=O

InChI

InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)

InChI Key

KGZUHYIHYBDNLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00043906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.723

Distribution Coefficient, logD

-13.114

Water Solubility, LogSw

-1.98

Polar Surface Area

72.907

Acid Dissociation Constant (pKa)

-3.39

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

3448-3637 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3448-3637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-3637?
Check Price and Availability of 3448-3637, 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 3448-3637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-3637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-3637
  • 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 3448-3637 available by request