M626-0775 Screening compound: N-{[6-(azepan-1-yl)pyridin-3-yl]methyl}-4-cyanobenzamide

M626-0775 Screening compound: N-{[6-(azepan-1-yl)pyridin-3-yl]methyl}-4-cyanobenzamide
M626-0775 Screening compound: N-{[6-(azepan-1-yl)pyridin-3-yl]methyl}-4-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M626-0775
N-{[6-(azepan-1-yl)pyridin-3-yl]methyl}-4-cyanobenzamide

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

M626-0775

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

N-{[6-(azepan-1-yl)pyridin-3-yl]methyl}-4-cyanobenzamide

IUPAC name

N-{[6-(azepan-1-yl)pyridin-3-yl]methyl}-4-cyanobenzamide

SMILES

N#Cc(cc1)ccc1C(NCc(cc1)cnc1N1CCCCCC1)=O

InChI

InChI=1S/C20H22N4O/c21-13-16-5-8-18(9-6-16)20(25)23-15-17-7-10-19(22-14-17)24-11-3-1-2-4-12-24/h5-10,14H,1-4,11-12,15H2,(H,23,25)

InChI Key

MDZSPJYVTOPZLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16590629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.41

Polar Surface Area

54.092

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M626-0775 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M626-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M626-0775?
Check Price and Availability of M626-0775, 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 M626-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M626-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M626-0775
  • 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 M626-0775 available by request