M435-1421 Screening compound: N~3~-(2,5-dimethylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide

M435-1421 Screening compound: N~3~-(2,5-dimethylphenyl)-4-hydroxy-7-methyl-2-oxo-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridine-3-carboxamide
M435-1421 Screening compound: N~3~-(2,5-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 M435-1421
N~3~-(2,5-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

M435-1421

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

N~3~-(2,5-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-(25-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)ccc(C)c1)=O)C(N1)=O)c1s2

InChI

InChI=1S/C21H22N2O3S/c1-10-4-6-12(3)14(8-10)22-19(25)17-18(24)16-13-7-5-11(2)9-15(13)27-21(16)23-20(17)26/h4,6,8,11H,5,7,9H2,1-3H3,(H,22,25)(H2,23,24,26)/t11-/m1/s1

InChI Key

JRBVZEPFBWTTBI-LLVKDONJSA-N

MDL Number (MFCD)

MFCD27541379

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

3.625

Distribution Coefficient, logD

-0.056

Water Solubility, LogSw

-4.11

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

M435-1421 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M435-1421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M435-1421?
Check Price and Availability of M435-1421, 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 M435-1421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M435-1421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M435-1421
  • 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 M435-1421 available by request