5591-3587 Screening compound: ethyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate

5591-3587 Screening compound: ethyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate
5591-3587 Screening compound: ethyl 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 5591-3587
ethyl 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

5591-3587

Molecular Formula

C23H18N2O6S (C23 H18 N2 O6 S)

Compound Name

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

IUPAC name

ethyl 2-methyl-5-{3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaene-9-sulfonamido}-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(C)oc(cc2)c1cc2NS(c(c1cccc2c11)ccc1NC2=O)(=O)=O)=O

InChI

InChI=1S/C23H18N2O6S/c1-3-30-23(27)20-12(2)31-18-9-7-13(11-16(18)20)25-32(28,29)19-10-8-17-21-14(19)5-4-6-15(21)22(26)24-17/h4-11,25H,3H2,1-2H3,(H,24,26)

InChI Key

CXZIGEWIEGAIOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.56

Polar Surface Area

94.561

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

5591-3587 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5591-3587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3587?
Check Price and Availability of 5591-3587, 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 5591-3587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3587
  • 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 5591-3587 available by request