S026-0952 Screening compound: 3'-(cyclopentylamino)-N-[(3-methoxyphenyl)methyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazine]-1-carboxamide

S026-0952 Screening compound: 3'-(cyclopentylamino)-N-[(3-methoxyphenyl)methyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazine]-1-carboxamide
S026-0952 Screening compound: 3'-(cyclopentylamino)-N-[(3-methoxyphenyl)methyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazine]-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S026-0952
3'-(cyclopentylamino)-N-[(3-methoxyphenyl)methyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazine]-1-carboxamide

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

S026-0952

Molecular Formula

C25H32N6O2 (C25 H32 N6 O2)

Compound Name

3'-(cyclopentylamino)-N-[(3-methoxyphenyl)methyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazine]-1-carboxamide

IUPAC name

3'-(cyclopentylamino)-N-[(3-methoxyphenyl)methyl]-1'H-spiro[piperidine-32'-pyrido[23-b]pyrazine]-1-carboxamide

SMILES

COc1cccc(CNC(N(CCC2)CC22Nc(cccn3)c3N=C2NC2CCCC2)=O)c1

InChI

InChI=1S/C25H32N6O2/c1-33-20-10-4-7-18(15-20)16-27-24(32)31-14-6-12-25(17-31)23(28-19-8-2-3-9-19)29-22-21(30-25)11-5-13-26-22/h4-5,7,10-11,13,15,19,30H,2-3,6,8-9,12,14,16-17H2,1H3,(H,27,32)(H,26,28,29)/t25-/m0/s1

InChI Key

BUOGROCBUDLAPK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27616969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

1.997

Water Solubility, LogSw

-3.36

Polar Surface Area

76.020

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

S026-0952 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Female
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S026-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S026-0952?
Check Price and Availability of S026-0952, 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 S026-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S026-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S026-0952
  • 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 S026-0952 available by request