S063-0246 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-ethoxypyrazin-2-amine

S063-0246 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-ethoxypyrazin-2-amine
S063-0246 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-ethoxypyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0246
N-(1-benzoylpiperidin-4-yl)-3-ethoxypyrazin-2-amine

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

S063-0246

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

N-(1-benzoylpiperidin-4-yl)-3-ethoxypyrazin-2-amine

IUPAC name

N-(1-benzoylpiperidin-4-yl)-3-ethoxypyrazin-2-amine

SMILES

CCOc1nccnc1NC(CC1)CCN1C(c1ccccc1)=O

InChI

InChI=1S/C18H22N4O2/c1-2-24-17-16(19-10-11-20-17)21-15-8-12-22(13-9-15)18(23)14-6-4-3-5-7-14/h3-7,10-11,15H,2,8-9,12-13H2,1H3,(H,19,21)

InChI Key

QBJPVGLVSTUCDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-2.54

Polar Surface Area

53.271

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

S063-0246 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S063-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0246?
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What is the minimum amount of S063-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0246
  • 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 S063-0246 available by request