CM4435-3598 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide

CM4435-3598 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide
CM4435-3598 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4435-3598
N-(2H-1,3-benzodioxol-5-yl)-8-ethyl-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

CM4435-3598

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-2-20-8-4-3-5-12-9-16(24-18(12)20)17(21)19-13-6-7-14-15(10-13)23-11-22-14/h6-7,9-10H,2-5,8,11H2,1H3,(H,19,21)

InChI Key

SOOQUJQCEFLMHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.108

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.06

Polar Surface Area

43.787

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

CM4435-3598 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with CM4435-3598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4435-3598?
Check Price and Availability of CM4435-3598, 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 CM4435-3598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4435-3598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4435-3598
  • 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 CM4435-3598 available by request