4456-3502 Screening compound: methyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate

4456-3502 Screening compound: methyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate
4456-3502 Screening compound: methyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3502
methyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate

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

4456-3502

Molecular Formula

C22H16N2O6S (C22 H16 N2 O6 S)

Compound Name

methyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate

IUPAC name

methyl 2-methyl-5-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(11)468(12)9-pentaene-9-sulfonamido}-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)NS(c(c3cccc4c33)ccc3NC4=O)(=O)=O)c2o1

InChI

InChI=1S/C22H16N2O6S/c1-11-19(22(26)29-2)15-10-12(6-8-17(15)30-11)24-31(27,28)18-9-7-16-20-13(18)4-3-5-14(20)21(25)23-16/h3-10,24H,1-2H3,(H,23,25)

InChI Key

IUUOKPKYGYQLLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.52

Polar Surface Area

94.981

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4456-3502 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Antibacterial Compounds Library (13827 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4456-3502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3502?
Check Price and Availability of 4456-3502, 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 4456-3502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3502
  • 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 4456-3502 available by request