S229-0272 Screening compound: [3-(dimethylamino)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl]methanol

S229-0272 Screening compound: [3-(dimethylamino)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl]methanol
S229-0272 Screening compound: [3-(dimethylamino)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S229-0272
[3-(dimethylamino)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl]methanol

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

S229-0272

Molecular Formula

C19H28N4O2 (C19 H28 N4 O2)

Compound Name

[3-(dimethylamino)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl]methanol

IUPAC name

[(3S4S)-3-(dimethylamino)-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl]methanol

SMILES

CN(C)[C@@H]1[C@H](CO)CCN(Cc2c[nH]nc2-c(cccc2)c2OC)C1

InChI

InChI=1S/C19H28N4O2/c1-22(2)17-12-23(9-8-14(17)13-24)11-15-10-20-21-19(15)16-6-4-5-7-18(16)25-3/h4-7,10,14,17,24H,8-9,11-13H2,1-3H3,(H,20,21)/t14-,17+/m1/s1

InChI Key

TXRAXOKPJYWGGU-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.232

Distribution Coefficient, logD

-0.743

Water Solubility, LogSw

-2.19

Polar Surface Area

54.751

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

S229-0272 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S229-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S229-0272?
Check Price and Availability of S229-0272, 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 S229-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S229-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S229-0272
  • 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 S229-0272 available by request