M435-1455 Screening compound: N~3~-(2,5-diethoxyphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

M435-1455 Screening compound: N~3~-(2,5-diethoxyphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
M435-1455 Screening compound: N~3~-(2,5-diethoxyphenyl)-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 M435-1455
N~3~-(2,5-diethoxyphenyl)-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

M435-1455

Molecular Formula

C23H26N2O5S (C23 H26 N2 O5 S)

Compound Name

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

IUPAC name

N-(25-diethoxyphenyl)-3-hydroxy-11-methyl-5-oxo-8-thia-6-azatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-triene-4-carboxamide

SMILES

CCOc(cc1)cc(NC(C(C(Nc2c3c(CCC(C)C4)c4s2)=O)=C3O)=O)c1OCC

InChI

InChI=1S/C23H26N2O5S/c1-4-29-13-7-9-16(30-5-2)15(11-13)24-21(27)19-20(26)18-14-8-6-12(3)10-17(14)31-23(18)25-22(19)28/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,24,27)(H2,25,26,28)/t12-/m1/s1

InChI Key

HLAGXFIDCJJISU-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27541400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

0.395

Water Solubility, LogSw

-4.26

Polar Surface Area

76.737

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

M435-1455 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M435-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1455?
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What is the minimum amount of M435-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1455
  • 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 M435-1455 available by request