S025-0846 Screening compound: 4-{[3'-(CYCLOPENTYLAMINO)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-1-YL]CARBONYL}BENZONITRILE

S025-0846 Screening compound: 4-{[3'-(CYCLOPENTYLAMINO)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-1-YL]CARBONYL}BENZONITRILE
S025-0846 Screening compound: 4-{[3'-(CYCLOPENTYLAMINO)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-1-YL]CARBONYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound S025-0846
4-{[3'-(CYCLOPENTYLAMINO)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-1-YL]CARBONYL}BENZONITRILE

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

S025-0846

Molecular Formula

C24H26N6O (C24 H26 N6 O)

Compound Name

4-{[3'-(CYCLOPENTYLAMINO)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-1-YL]CARBONYL}BENZONITRILE

IUPAC name

n/a

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCC11Nc(cccn2)c2N=C1NC1CCCC1)=O

InChI

InChI=1S/C24H26N6O/c25-16-17-7-9-18(10-8-17)22(31)30-14-11-24(12-15-30)23(27-19-4-1-2-5-19)28-21-20(29-24)6-3-13-26-21/h3,6-10,13,19,29H,1-2,4-5,11-12,14-15H2,(H,26,27,28)

InChI Key

PBVKWGFEOJYNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27616869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

1.649

Water Solubility, LogSw

-3.00

Polar Surface Area

75.456

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

S025-0846 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 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:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Female
  • Skin
  • Immune system
Targets:
  • Others
  • Nuclear receptors
  • Others
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S025-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S025-0846?
Check Price and Availability of S025-0846, 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 S025-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S025-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S025-0846
  • 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 S025-0846 available by request