S025-0840 Screening compound: N-CYCLOPENTYL-1-(3-THIENYLCARBONYL)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-3'-AMINE

S025-0840 Screening compound: N-CYCLOPENTYL-1-(3-THIENYLCARBONYL)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-3'-AMINE
S025-0840 Screening compound: N-CYCLOPENTYL-1-(3-THIENYLCARBONYL)-1'H-SPIRO[PIPERIDINE-4,2'-PYRIDO[2,3-B]PYRAZIN]-3'-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S025-0840
N-CYCLOPENTYL-1-(3-THIENYLCARBONYL)-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

S025-0840

Molecular Formula

C21H25N5OS (C21 H25 N5 OS)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(c1cscc1)N(CC1)CCC11Nc(cccn2)c2N=C1NC1CCCC1

InChI

InChI=1S/C21H25N5OS/c27-19(15-7-13-28-14-15)26-11-8-21(9-12-26)20(23-16-4-1-2-5-16)24-18-17(25-21)6-3-10-22-18/h3,6-7,10,13-14,16,25H,1-2,4-5,8-9,11-12H2,(H,22,23,24)

InChI Key

NQFXAVARBOIQAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27616868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

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

2.810

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-3.34

Polar Surface Area

59.418

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

S025-0840 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S025-0840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S025-0840?
Check Price and Availability of S025-0840, 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 S025-0840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S025-0840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S025-0840
  • 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 S025-0840 available by request