S063-0095 Screening compound: 1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one

S063-0095 Screening compound: 1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one
S063-0095 Screening compound: 1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0095
1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one

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

S063-0095

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one

IUPAC name

1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(4-methylphenoxy)ethan-1-one

SMILES

Cc(cc1)ccc1OCC(N(CC1)CCC1Nc1nccnc1OC)=O

InChI

InChI=1S/C19H24N4O3/c1-14-3-5-16(6-4-14)26-13-17(24)23-11-7-15(8-12-23)22-18-19(25-2)21-10-9-20-18/h3-6,9-10,15H,7-8,11-13H2,1-2H3,(H,20,22)

InChI Key

SAWRAAGSLQWPMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-2.65

Polar Surface Area

60.663

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

S063-0095 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S063-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0095?
Check Price and Availability of S063-0095, 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 S063-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0095
  • 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 S063-0095 available by request