S031-1128 Screening compound: 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopentylamino)-1H,1'H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethanone

S031-1128 Screening compound: 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopentylamino)-1H,1'H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethanone
S031-1128 Screening compound: 2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopentylamino)-1H,1'H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S031-1128
2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopentylamino)-1H,1'H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethanone

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

S031-1128

Molecular Formula

C23H25ClFN5O (C23 H25 ClFN5 O)

Compound Name

2-(2-chloro-6-fluorophenyl)-1-[3-(cyclopentylamino)-1H,1'H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidin]-1'-yl]ethanone

IUPAC name

n/a

SMILES

O=C(Cc(c(F)ccc1)c1Cl)N(CC1)CC11Nc(cccn2)c2N=C1NC1CCCC1

InChI

InChI=1S/C23H25ClFN5O/c24-17-7-3-8-18(25)16(17)13-20(31)30-12-10-23(14-30)22(27-15-5-1-2-6-15)28-21-19(29-23)9-4-11-26-21/h3-4,7-9,11,15,29H,1-2,5-6,10,12-14H2,(H,26,27,28)/t23-/m0/s1

InChI Key

KKLPGAXSCKIGBM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27617207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-4.32

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

S031-1128 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 S031-1128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S031-1128?
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What is the minimum amount of S031-1128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S031-1128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S031-1128
  • 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 S031-1128 available by request