S063-0072 Screening compound: N-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-3-methoxypyrazin-2-amine

S063-0072 Screening compound: N-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-3-methoxypyrazin-2-amine
S063-0072 Screening compound: N-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-3-methoxypyrazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0072
N-[1-(1H-indole-6-carbonyl)piperidin-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

S063-0072

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

N-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-3-methoxypyrazin-2-amine

IUPAC name

N-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-3-methoxypyrazin-2-amine

SMILES

COc1nccnc1NC(CC1)CCN1C(c1cc([nH]cc2)c2cc1)=O

InChI

InChI=1S/C19H21N5O2/c1-26-18-17(21-8-9-22-18)23-15-5-10-24(11-6-15)19(25)14-3-2-13-4-7-20-16(13)12-14/h2-4,7-9,12,15,20H,5-6,10-11H2,1H3,(H,21,23)

InChI Key

YNDRJVXSVDQFCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-2.90

Polar Surface Area

63.472

Acid Dissociation Constant (pKa)

17.71

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S063-0072 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S063-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0072?
Check Price and Availability of S063-0072, 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 S063-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0072
  • 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 S063-0072 available by request