4456-3202 Screening compound: methyl 5-[N-(4-ethylbenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate

4456-3202 Screening compound: methyl 5-[N-(4-ethylbenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate
4456-3202 Screening compound: methyl 5-[N-(4-ethylbenzenesulfonyl)acetamido]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3202
methyl 5-[N-(4-ethylbenzenesulfonyl)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

4456-3202

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1S(N(C(C)=O)c(cc1)cc2c1oc(C)c2C(OC)=O)(=O)=O

InChI

InChI=1S/C21H21NO6S/c1-5-15-6-9-17(10-7-15)29(25,26)22(14(3)23)16-8-11-19-18(12-16)20(13(2)28-19)21(24)27-4/h6-12H,5H2,1-4H3

InChI Key

ZECTWOSAFFYBRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-4.15

Polar Surface Area

75.407

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-14.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4456-3202 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 4456-3202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3202?
Check Price and Availability of 4456-3202, 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 4456-3202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3202
  • 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 4456-3202 available by request