S063-0281 Screening compound: 4-[(3-ethoxy-2-pyrazinyl)amino]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

S063-0281 Screening compound: 4-[(3-ethoxy-2-pyrazinyl)amino]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide
S063-0281 Screening compound: 4-[(3-ethoxy-2-pyrazinyl)amino]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0281
4-[(3-ethoxy-2-pyrazinyl)amino]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

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

S063-0281

Molecular Formula

C13H21N5O2 (C13 H21 N5 O2)

Compound Name

4-[(3-ethoxy-2-pyrazinyl)amino]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-[(3-ethoxypyrazin-2-yl)amino]-N-methylpiperidine-1-carboxamide

SMILES

CCOc1nccnc1NC(CC1)CCN1C(NC)=O

InChI

InChI=1S/C13H21N5O2/c1-3-20-12-11(15-6-7-16-12)17-10-4-8-18(9-5-10)13(19)14-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,19)(H,15,17)

InChI Key

JHOBTUKMMIRAHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.322

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-1.96

Polar Surface Area

63.836

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.54

S063-0281 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 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

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

References: we are preparing a list of scientific research reports with S063-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0281?
Check Price and Availability of S063-0281, 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 S063-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0281
  • 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 S063-0281 available by request