M631-1101 Screening compound: 3-cyano-N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)benzamide

M631-1101 Screening compound: 3-cyano-N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)benzamide
M631-1101 Screening compound: 3-cyano-N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M631-1101
3-cyano-N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)benzamide

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

M631-1101

Molecular Formula

C24H23N5O (C24 H23 N5 O)

Compound Name

3-cyano-N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)benzamide

IUPAC name

3-cyano-N-({4-[4-(pyridin-2-yl)piperazin-1-yl]phenyl}methyl)benzamide

SMILES

N#Cc1cccc(C(NCc(cc2)ccc2N(CC2)CCN2c2ncccc2)=O)c1

InChI

InChI=1S/C24H23N5O/c25-17-20-4-3-5-21(16-20)24(30)27-18-19-7-9-22(10-8-19)28-12-14-29(15-13-28)23-6-1-2-11-26-23/h1-11,16H,12-15,18H2,(H,27,30)

InChI Key

PGYAEMGNUXHKNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.67

Polar Surface Area

56.932

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

M631-1101 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Nuclear receptors
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with M631-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M631-1101?
Check Price and Availability of M631-1101, 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 M631-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M631-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M631-1101
  • 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 M631-1101 available by request