S063-0105 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-methoxypyrazin-2-amine

S063-0105 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-methoxypyrazin-2-amine
S063-0105 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-methoxypyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0105
N-(1-benzoylpiperidin-4-yl)-3-methoxypyrazin-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

S063-0105

Molecular Formula

C17H20N4O2 (C17 H20 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1nccnc1NC(CC1)CCN1C(c1ccccc1)=O

InChI

InChI=1S/C17H20N4O2/c1-23-16-15(18-9-10-19-16)20-14-7-11-21(12-8-14)17(22)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,18,20)

InChI Key

ZKCRHCCTTFKRHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-2.39

Polar Surface Area

53.691

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

S063-0105 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S063-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0105?
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What is the minimum amount of S063-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0105
  • 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 S063-0105 available by request