S031-1319 Screening compound: N-(4-chloro-2-fluorophenyl)-3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

S031-1319 Screening compound: N-(4-chloro-2-fluorophenyl)-3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
S031-1319 Screening compound: N-(4-chloro-2-fluorophenyl)-3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S031-1319
N-(4-chloro-2-fluorophenyl)-3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-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

S031-1319

Molecular Formula

C22H24ClFN6O (C22 H24 ClFN6 O)

Compound Name

N-(4-chloro-2-fluorophenyl)-3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-3-(cyclopentylamino)-1H-spiro[pyrido[23-b]pyrazine-23'-pyrrolidine]-1'-carboxamide

SMILES

O=C(Nc(ccc(Cl)c1)c1F)N(CC1)CC11Nc(cccn2)c2N=C1NC1CCCC1

InChI

InChI=1S/C22H24ClFN6O/c23-14-7-8-17(16(24)12-14)27-21(31)30-11-9-22(13-30)20(26-15-4-1-2-5-15)28-19-18(29-22)6-3-10-25-19/h3,6-8,10,12,15,29H,1-2,4-5,9,11,13H2,(H,27,31)(H,25,26,28)/t22-/m0/s1

InChI Key

BXRIRQMNVZGXBB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27641952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.92

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

4.403

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-4.59

Polar Surface Area

66.822

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

S031-1319 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Female
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S031-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S031-1319?
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What is the minimum amount of S031-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S031-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S031-1319
  • 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 S031-1319 available by request