S063-0093 Screening compound: 1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(3-methylphenoxy)ethan-1-one

S063-0093 Screening compound: 1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(3-methylphenoxy)ethan-1-one
S063-0093 Screening compound: 1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(3-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0093
1-{4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl}-2-(3-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

S063-0093

Molecular Formula

C19H24N4O3 (C19 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCC(N(CC2)CCC2Nc2nccnc2OC)=O)c1

InChI

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

InChI Key

TZKSFHNHYCGRDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031048

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

2.442

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-2.67

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

S063-0093 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 S063-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0093?
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What is the minimum amount of S063-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0093
  • 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 S063-0093 available by request