S752-1104 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide

S752-1104 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide
S752-1104 Screening compound: N-[2-(4-{[1-(propan-2-yl)piperidin-4-yl]methyl}phenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S752-1104
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

S752-1104

Molecular Formula

C20H32N2O (C20 H32 N2 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H32N2O/c1-4-20(23)21-12-9-17-5-7-18(8-6-17)15-19-10-13-22(14-11-19)16(2)3/h5-8,16,19H,4,9-15H2,1-3H3,(H,21,23)

InChI Key

GZBNSHUAXKNHLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.49

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

3.165

Distribution Coefficient, logD

0.584

Water Solubility, LogSw

-3.22

Polar Surface Area

28.336

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S752-1104 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S752-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S752-1104?
Check Price and Availability of S752-1104, 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 S752-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S752-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S752-1104
  • 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 S752-1104 available by request