CM4435-1447 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-8-(2-methoxyethyl)-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide

CM4435-1447 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-8-(2-methoxyethyl)-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide
CM4435-1447 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-8-(2-methoxyethyl)-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4435-1447
N-(2H-1,3-benzodioxol-5-yl)-8-(2-methoxyethyl)-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-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

CM4435-1447

Molecular Formula

C19H22N2O4S (C19 H22 N2 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-8-(2-methoxyethyl)-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-8-(2-methoxyethyl)-4H5H6H7H8H-thieno[23-b]azepine-2-carboxamide

SMILES

COCCN(CCCC1)c2c1cc(C(Nc(cc1)cc3c1OCO3)=O)s2

InChI

InChI=1S/C19H22N2O4S/c1-23-9-8-21-7-3-2-4-13-10-17(26-19(13)21)18(22)20-14-5-6-15-16(11-14)25-12-24-15/h5-6,10-11H,2-4,7-9,12H2,1H3,(H,20,22)

InChI Key

QEDNFCHICMWDDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-3.85

Polar Surface Area

52.383

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

CM4435-1447 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM4435-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4435-1447?
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What is the minimum amount of CM4435-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4435-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4435-1447
  • 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 CM4435-1447 available by request