S026-0780 Screening compound: 1-[3'-(cyclopentylamino)-1H,1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-1-yl]-2-(thiophen-2-yl)ethanone

S026-0780 Screening compound: 1-[3'-(cyclopentylamino)-1H,1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-1-yl]-2-(thiophen-2-yl)ethanone
S026-0780 Screening compound: 1-[3'-(cyclopentylamino)-1H,1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-1-yl]-2-(thiophen-2-yl)ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S026-0780
1-[3'-(cyclopentylamino)-1H,1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-1-yl]-2-(thiophen-2-yl)ethanone

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

S026-0780

Molecular Formula

C22H27N5OS (C22 H27 N5 OS)

Compound Name

1-[3'-(cyclopentylamino)-1H,1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-1-yl]-2-(thiophen-2-yl)ethanone

IUPAC name

n/a

SMILES

O=C(Cc1cccs1)N(CCC1)CC11Nc(cccn2)c2N=C1NC1CCCC1

InChI

InChI=1S/C22H27N5OS/c28-19(14-17-8-4-13-29-17)27-12-5-10-22(15-27)21(24-16-6-1-2-7-16)25-20-18(26-22)9-3-11-23-20/h3-4,8-9,11,13,16,26H,1-2,5-7,10,12,14-15H2,(H,23,24,25)/t22-/m0/s1

InChI Key

QVIXUMWMRNCQHU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27616942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

1.810

Water Solubility, LogSw

-3.32

Polar Surface Area

58.824

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S026-0780 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S026-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S026-0780?
Check Price and Availability of S026-0780, 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 S026-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S026-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S026-0780
  • 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 S026-0780 available by request