S752-1096 Screening compound: 2-methyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide

S752-1096 Screening compound: 2-methyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide
S752-1096 Screening compound: 2-methyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S752-1096
2-methyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide

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

S752-1096

Molecular Formula

C21H34N2O (C21 H34 N2 O)

Compound Name

2-methyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide

IUPAC name

2-methyl-N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide

SMILES

CC(C)C(NCCc1ccc(CC(CC2)CCN2C(C)C)cc1)=O

InChI

InChI=1S/C21H34N2O/c1-16(2)21(24)22-12-9-18-5-7-19(8-6-18)15-20-10-13-23(14-11-20)17(3)4/h5-8,16-17,20H,9-15H2,1-4H3,(H,22,24)

InChI Key

OBGADFGFKQBXEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

1.147

Water Solubility, LogSw

-3.94

Polar Surface Area

28.549

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S752-1096 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S752-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S752-1096?
Check Price and Availability of S752-1096, 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 S752-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S752-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S752-1096
  • 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 S752-1096 available by request