S026-0793 Screening compound: N-cyclopentyl-1-[(3-methyl-2-thienyl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine

S026-0793 Screening compound: N-cyclopentyl-1-[(3-methyl-2-thienyl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine
S026-0793 Screening compound: N-cyclopentyl-1-[(3-methyl-2-thienyl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S026-0793
N-cyclopentyl-1-[(3-methyl-2-thienyl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-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

S026-0793

Molecular Formula

C22H27N5OS (C22 H27 N5 OS)

Compound Name

N-cyclopentyl-1-[(3-methyl-2-thienyl)carbonyl]-1'H-spiro[piperidine-3,2'-pyrido[2,3-b]pyrazin]-3'-amine

IUPAC name

N-cyclopentyl-1-(3-methylthiophene-2-carbonyl)-1'H-spiro[piperidine-32'-pyrido[23-b]pyrazin]-3'-amine

SMILES

Cc1c(C(N(CCC2)CC22Nc(cccn3)c3N=C2NC2CCCC2)=O)scc1

InChI

InChI=1S/C22H27N5OS/c1-15-9-13-29-18(15)20(28)27-12-5-10-22(14-27)21(24-16-6-2-3-7-16)25-19-17(26-22)8-4-11-23-19/h4,8-9,11,13,16,26H,2-3,5-7,10,12,14H2,1H3,(H,23,24,25)/t22-/m0/s1

InChI Key

VIABKEKNVJMCAX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27642407

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

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-3.64

Polar Surface Area

59.351

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S026-0793 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S026-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S026-0793?
Check Price and Availability of S026-0793, 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 S026-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S026-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S026-0793
  • 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 S026-0793 available by request