5591-2084 Screening compound: benzyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate

5591-2084 Screening compound: benzyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate
5591-2084 Screening compound: benzyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2084
benzyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-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

5591-2084

Molecular Formula

C25H19NO5S2 (C25 H19 NO5 S2)

Compound Name

benzyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[1,2-b]furan-3-carboxylate

IUPAC name

benzyl 2-methyl-5-(thiophene-2-sulfonamido)naphtho[12-b]furan-3-carboxylate

SMILES

Cc1c(C(OCc2ccccc2)=O)c(cc(c2ccccc22)NS(c3cccs3)(=O)=O)c2o1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-5.78

Polar Surface Area

69.975

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

5591-2084 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5591-2084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2084?
Check Price and Availability of 5591-2084, 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 5591-2084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2084
  • 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 5591-2084 available by request