3461-3086 Screening compound: methyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate

3461-3086 Screening compound: methyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate
3461-3086 Screening compound: methyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-3086
methyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-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

3461-3086

Molecular Formula

C23H17ClN2O6S (C23 H17 ClN2 O6 S)

Compound Name

methyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate

IUPAC name

methyl 5-[N-(4-chlorobenzenesulfonyl)pyridine-4-amido]-2-methyl-1-benzofuran-3-carboxylate

SMILES

Cc1c(C(OC)=O)c(cc(cc2)N(C(c3ccncc3)=O)S(c(cc3)ccc3Cl)(=O)=O)c2o1

InChI

InChI=1S/C23H17ClN2O6S/c1-14-21(23(28)31-2)19-13-17(5-8-20(19)32-14)26(22(27)15-9-11-25-12-10-15)33(29,30)18-6-3-16(24)4-7-18/h3-13H,1-2H3

InChI Key

XYGKQBOUJNANLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02345813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.83

Polar Surface Area

84.096

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3461-3086 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3461-3086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-3086?
Check Price and Availability of 3461-3086, 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 3461-3086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-3086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-3086
  • 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 3461-3086 available by request