CM4435-2226 Screening compound: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-8-propyl-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide

CM4435-2226 Screening compound: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-8-propyl-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide
CM4435-2226 Screening compound: N-[(5-methyl-1H-pyrazol-4-yl)methyl]-8-propyl-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4435-2226
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-8-propyl-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

CM4435-2226

Molecular Formula

C17H24N4OS (C17 H24 N4 OS)

Compound Name

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

IUPAC name

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-8-propyl-4H5H6H7H8H-thieno[23-b]azepine-2-carboxamide

SMILES

CCCN(CCCC1)c2c1cc(C(NCc1c(C)[nH]nc1)=O)s2

InChI

InChI=1S/C17H24N4OS/c1-3-7-21-8-5-4-6-13-9-15(23-17(13)21)16(22)18-10-14-11-19-20-12(14)2/h9,11H,3-8,10H2,1-2H3,(H,18,22)(H,19,20)

InChI Key

QMMPUSWCQQTIGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.45

Polar Surface Area

52.515

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

CM4435-2226 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with CM4435-2226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4435-2226?
Check Price and Availability of CM4435-2226, 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 CM4435-2226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4435-2226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4435-2226
  • 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 CM4435-2226 available by request