S229-0792 Screening compound: N-[4-(hydroxymethyl)-1-[(4-propoxyphenyl)methyl]piperidin-3-yl]cyclopropanecarboxamide

S229-0792 Screening compound: N-[4-(hydroxymethyl)-1-[(4-propoxyphenyl)methyl]piperidin-3-yl]cyclopropanecarboxamide
S229-0792 Screening compound: N-[4-(hydroxymethyl)-1-[(4-propoxyphenyl)methyl]piperidin-3-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-0792
N-[4-(hydroxymethyl)-1-[(4-propoxyphenyl)methyl]piperidin-3-yl]cyclopropanecarboxamide

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

S229-0792

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

N-[4-(hydroxymethyl)-1-[(4-propoxyphenyl)methyl]piperidin-3-yl]cyclopropanecarboxamide

IUPAC name

N-[(3S4S)-4-(hydroxymethyl)-1-[(4-propoxyphenyl)methyl]piperidin-3-yl]cyclopropanecarboxamide

SMILES

CCCOc1ccc(CN(CC[C@H]2CO)C[C@@H]2NC(C2CC2)=O)cc1

InChI

InChI=1S/C20H30N2O3/c1-2-11-25-18-7-3-15(4-8-18)12-22-10-9-17(14-23)19(13-22)21-20(24)16-5-6-16/h3-4,7-8,16-17,19,23H,2,5-6,9-14H2,1H3,(H,21,24)/t17-,19-/m0/s1

InChI Key

DEJOZGNLPBPCAS-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.45

Polar Surface Area

53.297

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S229-0792 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S229-0792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-0792?
Check Price and Availability of S229-0792, 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 S229-0792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-0792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-0792
  • 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 S229-0792 available by request