S025-0850 Screening compound: {N}-CYCLOPENTYL-1-(3-FLUORO-4-METHYLBENZOYL)-1'{H}-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE

S025-0850 Screening compound: {N}-CYCLOPENTYL-1-(3-FLUORO-4-METHYLBENZOYL)-1'{H}-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE
S025-0850 Screening compound: {N}-CYCLOPENTYL-1-(3-FLUORO-4-METHYLBENZOYL)-1'{H}-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S025-0850
{N}-CYCLOPENTYL-1-(3-FLUORO-4-METHYLBENZOYL)-1'{H}-SPIRO[PIPERIDINE-4,2'-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

S025-0850

Molecular Formula

C24H28FN5O (C24 H28 FN5 O)

Compound Name

{N}-CYCLOPENTYL-1-(3-FLUORO-4-METHYLBENZOYL)-1'{H}-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-{B}]PYRAZIN]-3'-AMINE

IUPAC name

n/a

SMILES

Cc(ccc(C(N(CC1)CCC11Nc(cccn2)c2N=C1NC1CCCC1)=O)c1)c1F

InChI

InChI=1S/C24H28FN5O/c1-16-8-9-17(15-19(16)25)22(31)30-13-10-24(11-14-30)23(27-18-5-2-3-6-18)28-21-20(29-24)7-4-12-26-21/h4,7-9,12,15,18,29H,2-3,5-6,10-11,13-14H2,1H3,(H,26,27,28)

InChI Key

IMSMNNWMSNLXRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

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

3.581

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.76

Polar Surface Area

58.400

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

S025-0850 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S025-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S025-0850?
Check Price and Availability of S025-0850, 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 S025-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S025-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S025-0850
  • 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 S025-0850 available by request