S031-1147 Screening compound: 2-(4-chlorophenyl)-1-[3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethan-1-one

S031-1147 Screening compound: 2-(4-chlorophenyl)-1-[3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethan-1-one
S031-1147 Screening compound: 2-(4-chlorophenyl)-1-[3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S031-1147
2-(4-chlorophenyl)-1-[3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethan-1-one

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

S031-1147

Molecular Formula

C23H26ClN5O (C23 H26 ClN5 O)

Compound Name

2-(4-chlorophenyl)-1-[3-(cyclopentylamino)-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethan-1-one

IUPAC name

2-(4-chlorophenyl)-1-[3-(cyclopentylamino)-1H-spiro[pyrido[23-b]pyrazine-23'-pyrrolidin]-1'-yl]ethan-1-one

SMILES

O=C(Cc(cc1)ccc1Cl)N(CC1)CC11Nc(cccn2)c2N=C1NC1CCCC1

InChI

InChI=1S/C23H26ClN5O/c24-17-9-7-16(8-10-17)14-20(30)29-13-11-23(15-29)22(26-18-4-1-2-5-18)27-21-19(28-23)6-3-12-25-21/h3,6-10,12,18,28H,1-2,4-5,11,13-15H2,(H,25,26,27)/t23-/m0/s1

InChI Key

SJPKNSVVJBVGOK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27617213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-4.44

Polar Surface Area

58.172

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

S031-1147 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S031-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S031-1147?
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What is the minimum amount of S031-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S031-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S031-1147
  • 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 S031-1147 available by request