M535-1344 Screening compound: 2-(azepan-1-yl)-N-[2-(azepan-1-yl)ethyl]-4-cyclopropaneamidobenzamide

M535-1344 Screening compound: 2-(azepan-1-yl)-N-[2-(azepan-1-yl)ethyl]-4-cyclopropaneamidobenzamide
M535-1344 Screening compound: 2-(azepan-1-yl)-N-[2-(azepan-1-yl)ethyl]-4-cyclopropaneamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M535-1344
2-(azepan-1-yl)-N-[2-(azepan-1-yl)ethyl]-4-cyclopropaneamidobenzamide

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

M535-1344

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

2-(azepan-1-yl)-N-[2-(azepan-1-yl)ethyl]-4-cyclopropaneamidobenzamide

IUPAC name

2-(azepan-1-yl)-N-[2-(azepan-1-yl)ethyl]-4-cyclopropaneamidobenzamide

SMILES

O=C(C1CC1)Nc(cc1)cc(N2CCCCCC2)c1C(NCCN1CCCCCC1)=O

InChI

InChI=1S/C25H38N4O2/c30-24(20-9-10-20)27-21-11-12-22(23(19-21)29-16-7-3-4-8-17-29)25(31)26-13-18-28-14-5-1-2-6-15-28/h11-12,19-20H,1-10,13-18H2,(H,26,31)(H,27,30)

InChI Key

ARCGXWBCZXDIMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-4.18

Polar Surface Area

55.904

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

M535-1344 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M535-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M535-1344?
Check Price and Availability of M535-1344, 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 M535-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M535-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M535-1344
  • 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 M535-1344 available by request