M435-1433 Screening compound: N~3~-(2,3-dimethylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

M435-1433 Screening compound: N~3~-(2,3-dimethylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
M435-1433 Screening compound: N~3~-(2,3-dimethylphenyl)-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 M435-1433
N~3~-(2,3-dimethylphenyl)-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

M435-1433

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-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

CC(CC1)Cc2c1c(C(O)=C(C(Nc1c(C)c(C)ccc1)=O)C(N1)=O)c1s2

InChI

InChI=1S/C21H22N2O3S/c1-10-7-8-13-15(9-10)27-21-16(13)18(24)17(20(26)23-21)19(25)22-14-6-4-5-11(2)12(14)3/h4-6,10H,7-9H2,1-3H3,(H,22,25)(H2,23,24,26)/t10-/m1/s1

InChI Key

DOMLQPBRYHPMCP-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD27541390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

0.533

Water Solubility, LogSw

-4.38

Polar Surface Area

62.403

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with M435-1433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1433?
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What is the minimum amount of M435-1433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1433
  • 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 M435-1433 available by request