S722-2095 Screening compound: N-(cyclopropylmethyl)-3-methyl-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)benzamide

S722-2095 Screening compound: N-(cyclopropylmethyl)-3-methyl-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)benzamide
S722-2095 Screening compound: N-(cyclopropylmethyl)-3-methyl-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-2095
N-(cyclopropylmethyl)-3-methyl-N-({4-[(1-methylpiperidin-4-yl)methyl]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

S722-2095

Molecular Formula

C26H34N2O (C26 H34 N2 O)

Compound Name

N-(cyclopropylmethyl)-3-methyl-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)benzamide

IUPAC name

N-(cyclopropylmethyl)-3-methyl-N-({4-[(1-methylpiperidin-4-yl)methyl]phenyl}methyl)benzamide

SMILES

Cc1cccc(C(N(CC2CC2)Cc2ccc(CC3CCN(C)CC3)cc2)=O)c1

InChI

InChI=1S/C26H34N2O/c1-20-4-3-5-25(16-20)26(29)28(19-24-10-11-24)18-23-8-6-21(7-9-23)17-22-12-14-27(2)15-13-22/h3-9,16,22,24H,10-15,17-19H2,1-2H3

InChI Key

IWYVOYLOZWKGGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31993840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-4.44

Polar Surface Area

20.098

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S722-2095 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S722-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-2095?
Check Price and Availability of S722-2095, 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 S722-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-2095
  • 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 S722-2095 available by request