M435-1461 Screening compound: N~3~-[4-(aminosulfonyl)phenyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

M435-1461 Screening compound: N~3~-[4-(aminosulfonyl)phenyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
M435-1461 Screening compound: N~3~-[4-(aminosulfonyl)phenyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M435-1461
N~3~-[4-(aminosulfonyl)phenyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-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

M435-1461

Molecular Formula

C19H19N3O5S2 (C19 H19 N3 O5 S2)

Compound Name

N~3~-[4-(aminosulfonyl)phenyl]-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

IUPAC name

3-hydroxy-11-methyl-5-oxo-N-(4-sulfamoylphenyl)-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-triene-4-carboxamide

SMILES

CC(CC1)Cc2c1c(C(O)=C(C(Nc(cc1)ccc1S(N)(=O)=O)=O)C(N1)=O)c1s2

InChI

InChI=1S/C19H19N3O5S2/c1-9-2-7-12-13(8-9)28-19-14(12)16(23)15(18(25)22-19)17(24)21-10-3-5-11(6-4-10)29(20,26)27/h3-6,9H,2,7-8H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,25)/t9-/m1/s1

InChI Key

NAAUGFLBQNLTKA-SECBINFHSA-N

MDL Number (MFCD)

MFCD27541403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.746

Distribution Coefficient, logD

-1.935

Water Solubility, LogSw

-2.39

Polar Surface Area

113.704

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

M435-1461 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M435-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1461?
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What is the minimum amount of M435-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1461
  • 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 M435-1461 available by request