3461-2189 Screening compound: methyl 2-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate

3461-2189 Screening compound: methyl 2-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate
3461-2189 Screening compound: methyl 2-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2189
methyl 2-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate

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

3461-2189

Molecular Formula

C19H14N2O5S (C19 H14 N2 O5 S)

Compound Name

methyl 2-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoate

IUPAC name

methyl 2-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(11)468(12)9-pentaene-9-sulfonamido}benzoate

SMILES

COC(c(cccc1)c1NS(c(c1cccc2c11)ccc1NC2=O)(=O)=O)=O

InChI

InChI=1S/C19H14N2O5S/c1-26-19(23)11-5-2-3-8-14(11)21-27(24,25)16-10-9-15-17-12(16)6-4-7-13(17)18(22)20-15/h2-10,21H,1H3,(H,20,22)

InChI Key

ZROWFOVAOFZGNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

0.123

Water Solubility, LogSw

-3.92

Polar Surface Area

86.336

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

3461-2189 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3461-2189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2189?
Check Price and Availability of 3461-2189, 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 3461-2189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2189
  • 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 3461-2189 available by request