M528-1951 Screening compound: 3-methoxy-N-methyl-5-(2,3,5,6-tetramethylbenzenesulfonamido)-1-benzothiophene-2-carboxamide

M528-1951 Screening compound: 3-methoxy-N-methyl-5-(2,3,5,6-tetramethylbenzenesulfonamido)-1-benzothiophene-2-carboxamide
M528-1951 Screening compound: 3-methoxy-N-methyl-5-(2,3,5,6-tetramethylbenzenesulfonamido)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M528-1951
3-methoxy-N-methyl-5-(2,3,5,6-tetramethylbenzenesulfonamido)-1-benzothiophene-2-carboxamide

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

M528-1951

Molecular Formula

C21H24N2O4S2 (C21 H24 N2 O4 S2)

Compound Name

3-methoxy-N-methyl-5-(2,3,5,6-tetramethylbenzenesulfonamido)-1-benzothiophene-2-carboxamide

IUPAC name

3-methoxy-N-methyl-5-(2356-tetramethylbenzenesulfonamido)-1-benzothiophene-2-carboxamide

SMILES

Cc1c(C)c(S(Nc(cc2)cc3c2sc(C(NC)=O)c3OC)(=O)=O)c(C)c(C)c1

InChI

InChI=1S/C21H24N2O4S2/c1-11-9-12(2)14(4)20(13(11)3)29(25,26)23-15-7-8-17-16(10-15)18(27-6)19(28-17)21(24)22-5/h7-10,23H,1-6H3,(H,22,24)

InChI Key

PYIOOUGOSXXSAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-4.44

Polar Surface Area

74.187

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M528-1951 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Neuropeptide S Library (2850 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M528-1951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M528-1951?
Check Price and Availability of M528-1951, 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 M528-1951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M528-1951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M528-1951
  • 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 M528-1951 available by request