CM4435-3783 Screening compound: 8-ethyl-N-{[1-(2-methylpropyl)pyrrolidin-3-yl]methyl}-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide

CM4435-3783 Screening compound: 8-ethyl-N-{[1-(2-methylpropyl)pyrrolidin-3-yl]methyl}-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide
CM4435-3783 Screening compound: 8-ethyl-N-{[1-(2-methylpropyl)pyrrolidin-3-yl]methyl}-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4435-3783
8-ethyl-N-{[1-(2-methylpropyl)pyrrolidin-3-yl]methyl}-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

CM4435-3783

Molecular Formula

C20H33N3OS (C20 H33 N3 OS)

Compound Name

8-ethyl-N-{[1-(2-methylpropyl)pyrrolidin-3-yl]methyl}-4H,5H,6H,7H,8H-thieno[2,3-b]azepine-2-carboxamide

IUPAC name

8-ethyl-N-{[1-(2-methylpropyl)pyrrolidin-3-yl]methyl}-4H5H6H7H8H-thieno[23-b]azepine-2-carboxamide

SMILES

CCN(CCCC1)c2c1cc(C(NCC1CN(CC(C)C)CC1)=O)s2

InChI

InChI=1S/C20H33N3OS/c1-4-23-9-6-5-7-17-11-18(25-20(17)23)19(24)21-12-16-8-10-22(14-16)13-15(2)3/h11,15-16H,4-10,12-14H2,1-3H3,(H,21,24)/t16-/m1/s1

InChI Key

NUPICUKYWCBDBG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30466139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

-0.877

Water Solubility, LogSw

-3.71

Polar Surface Area

32.297

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

11.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

CM4435-3783 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM4435-3783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4435-3783?
Check Price and Availability of CM4435-3783, 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 CM4435-3783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4435-3783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4435-3783
  • 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 CM4435-3783 available by request