S063-0099 Screening compound: {4-[(3-methoxy-2-pyrazinyl)amino]piperidino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

S063-0099 Screening compound: {4-[(3-methoxy-2-pyrazinyl)amino]piperidino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
S063-0099 Screening compound: {4-[(3-methoxy-2-pyrazinyl)amino]piperidino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S063-0099
{4-[(3-methoxy-2-pyrazinyl)amino]piperidino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

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

S063-0099

Molecular Formula

C18H24N6O2 (C18 H24 N6 O2)

Compound Name

{4-[(3-methoxy-2-pyrazinyl)amino]piperidino}(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

IUPAC name

n/a

SMILES

COc1nccnc1NC(CC1)CCN1C(c1n[nH]c2c1CCCC2)=O

InChI

InChI=1S/C18H24N6O2/c1-26-17-16(19-8-9-20-17)21-12-6-10-24(11-7-12)18(25)15-13-4-2-3-5-14(13)22-23-15/h8-9,12H,2-7,10-11H2,1H3,(H,19,21)(H,22,23)

InChI Key

LBHSZGWIMCKWST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.916

Water Solubility, LogSw

-2.19

Polar Surface Area

78.644

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

S063-0099 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S063-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S063-0099?
Check Price and Availability of S063-0099, 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 S063-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S063-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S063-0099
  • 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 S063-0099 available by request