S026-2072 Screening compound: {N}-({TERT}-BUTYL)-1-(1{H}-INDOL-3-YLACETYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE

S026-2072 Screening compound: {N}-({TERT}-BUTYL)-1-(1{H}-INDOL-3-YLACETYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE
S026-2072 Screening compound: {N}-({TERT}-BUTYL)-1-(1{H}-INDOL-3-YLACETYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S026-2072
{N}-({TERT}-BUTYL)-1-(1{H}-INDOL-3-YLACETYL)-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

S026-2072

Molecular Formula

C25H30N6O (C25 H30 N6 O)

Compound Name

{N}-({TERT}-BUTYL)-1-(1{H}-INDOL-3-YLACETYL)-1'{H}-SPIRO[PIPERIDINE-3,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE

IUPAC name

n/a

SMILES

CC(C)(C)NC1=Nc(nccc2)c2NC1(CCC1)CN1C(Cc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C25H30N6O/c1-24(2,3)30-23-25(29-20-10-6-12-26-22(20)28-23)11-7-13-31(16-25)21(32)14-17-15-27-19-9-5-4-8-18(17)19/h4-6,8-10,12,15,27,29H,7,11,13-14,16H2,1-3H3,(H,26,28,30)/t25-/m0/s1

InChI Key

FUFQAEKCYNZPAZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27616981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-3.46

Polar Surface Area

66.681

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S026-2072 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Female
  • Skin
  • Immune system
Targets:
  • GPCR
  • Proteases
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S026-2072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S026-2072?
Check Price and Availability of S026-2072, 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 S026-2072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S026-2072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S026-2072
  • 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 S026-2072 available by request