4456-3500 Screening compound: methyl 5-(4-methoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

4456-3500 Screening compound: methyl 5-(4-methoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate
4456-3500 Screening compound: methyl 5-(4-methoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-3500
methyl 5-(4-methoxybenzenesulfonamido)-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

4456-3500

Molecular Formula

C18H17NO6S (C18 H17 NO6 S)

Compound Name

methyl 5-(4-methoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

methyl 5-(4-methoxybenzenesulfonamido)-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)NS(c(cc3)ccc3OC)(=O)=O)c2o1

InChI

InChI=1S/C18H17NO6S/c1-11-17(18(20)24-3)15-10-12(4-9-16(15)25-11)19-26(21,22)14-7-5-13(23-2)6-8-14/h4-10,19H,1-3H3

InChI Key

UERQQSASFPLFTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-4.08

Polar Surface Area

77.553

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-12.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4456-3500 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4456-3500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-3500?
Check Price and Availability of 4456-3500, 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 4456-3500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-3500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-3500
  • 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 4456-3500 available by request