S019-0960 Screening compound: 3'-(cyclopentylamino)-N-(2-methylphenyl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide

S019-0960 Screening compound: 3'-(cyclopentylamino)-N-(2-methylphenyl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide
S019-0960 Screening compound: 3'-(cyclopentylamino)-N-(2-methylphenyl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S019-0960
3'-(cyclopentylamino)-N-(2-methylphenyl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide

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

S019-0960

Molecular Formula

C25H31N5O (C25 H31 N5 O)

Compound Name

3'-(cyclopentylamino)-N-(2-methylphenyl)-1'H-spiro[piperidine-3,2'-quinoxaline]-1-carboxamide

IUPAC name

3'-(cyclopentylamino)-N-(2-methylphenyl)-1'H-spiro[piperidine-32'-quinoxaline]-1-carboxamide

SMILES

Cc(cccc1)c1NC(N(CCC1)CC11Nc(cccc2)c2N=C1NC1CCCC1)=O

InChI

InChI=1S/C25H31N5O/c1-18-9-2-5-12-20(18)28-24(31)30-16-8-15-25(17-30)23(26-19-10-3-4-11-19)27-21-13-6-7-14-22(21)29-25/h2,5-7,9,12-14,19,29H,3-4,8,10-11,15-17H2,1H3,(H,26,27)(H,28,31)/t25-/m0/s1

InChI Key

WQKXUBDOHGFESB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD29029713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.09

Polar Surface Area

56.832

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

S019-0960 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 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
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Female
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
  • Others
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S019-0960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S019-0960?
Check Price and Availability of S019-0960, 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 S019-0960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S019-0960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S019-0960
  • 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 S019-0960 available by request