S063-0090 Screening compound: 3-methoxy-N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazin-2-amine

S063-0090 Screening compound: 3-methoxy-N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazin-2-amine
S063-0090 Screening compound: 3-methoxy-N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0090
3-methoxy-N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazin-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

S063-0090

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

3-methoxy-N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazin-2-amine

IUPAC name

3-methoxy-N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazin-2-amine

SMILES

COc1nccnc1NC(CC1)CCN1C(C1(CC1)c1ccccc1)=O

InChI

InChI=1S/C20H24N4O2/c1-26-18-17(21-11-12-22-18)23-16-7-13-24(14-8-16)19(25)20(9-10-20)15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,21,23)

InChI Key

BSHYXXTWUZWLJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-2.82

Polar Surface Area

53.943

Acid Dissociation Constant (pKa)

19.33

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S063-0090 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S063-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0090?
Check Price and Availability of S063-0090, 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 S063-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0090
  • 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 S063-0090 available by request