5591-3258 Screening compound: ethyl 5-[N-(4-methoxybenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate

5591-3258 Screening compound: ethyl 5-[N-(4-methoxybenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate
5591-3258 Screening compound: ethyl 5-[N-(4-methoxybenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3258
ethyl 5-[N-(4-methoxybenzenesulfonyl)acetamido]-2-methyl-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

5591-3258

Molecular Formula

C21H21NO7S (C21 H21 NO7 S)

Compound Name

ethyl 5-[N-(4-methoxybenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[N-(4-methoxybenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(C)oc(cc2)c1cc2N(C(C)=O)S(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C21H21NO7S/c1-5-28-21(24)20-13(2)29-19-11-6-15(12-18(19)20)22(14(3)23)30(25,26)17-9-7-16(27-4)8-10-17/h6-12H,5H2,1-4H3

InChI Key

YIGXERXMOOINLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.79

Polar Surface Area

82.530

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-15.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5591-3258 in Drug Discovery

Included in Screening Libraries

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 5591-3258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3258?
Check Price and Availability of 5591-3258, 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 5591-3258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3258
  • 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 5591-3258 available by request