M435-1438 Screening compound: 4-hydroxy-7-methyl-2-oxo-N~3~-(4-phenoxyphenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

M435-1438 Screening compound: 4-hydroxy-7-methyl-2-oxo-N~3~-(4-phenoxyphenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
M435-1438 Screening compound: 4-hydroxy-7-methyl-2-oxo-N~3~-(4-phenoxyphenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M435-1438
4-hydroxy-7-methyl-2-oxo-N~3~-(4-phenoxyphenyl)-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

M435-1438

Molecular Formula

C25H22N2O4S (C25 H22 N2 O4 S)

Compound Name

4-hydroxy-7-methyl-2-oxo-N~3~-(4-phenoxyphenyl)-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-phenoxyphenyl)-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)ccc1Oc1ccccc1)=O)C(N1)=O)c1s2

InChI

InChI=1S/C25H22N2O4S/c1-14-7-12-18-19(13-14)32-25-20(18)22(28)21(24(30)27-25)23(29)26-15-8-10-17(11-9-15)31-16-5-3-2-4-6-16/h2-6,8-11,14H,7,12-13H2,1H3,(H,26,29)(H2,27,28,30)/t14-/m1/s1

InChI Key

ITOXLGYECKVPPX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27541394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-4.78

Polar Surface Area

69.849

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

M435-1438 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M435-1438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1438?
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What is the minimum amount of M435-1438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1438
  • 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 M435-1438 available by request