S031-1226 Screening compound: N-CYCLOPENTYL-1'-[(2-METHYLPHENOXY)ACETYL]-1H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDIN]-3-AMINE

S031-1226 Screening compound: N-CYCLOPENTYL-1'-[(2-METHYLPHENOXY)ACETYL]-1H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDIN]-3-AMINE
S031-1226 Screening compound: N-CYCLOPENTYL-1'-[(2-METHYLPHENOXY)ACETYL]-1H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDIN]-3-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S031-1226
N-CYCLOPENTYL-1'-[(2-METHYLPHENOXY)ACETYL]-1H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDIN]-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

S031-1226

Molecular Formula

C24H29N5O2 (C24 H29 N5 O2)

Compound Name

N-CYCLOPENTYL-1'-[(2-METHYLPHENOXY)ACETYL]-1H-SPIRO[PYRIDO[2,3-B]PYRAZINE-2,3'-PYRROLIDIN]-3-AMINE

IUPAC name

n/a

SMILES

Cc(cccc1)c1OCC(N(CC1)CC11Nc(cccn2)c2N=C1NC1CCCC1)=O

InChI

InChI=1S/C24H29N5O2/c1-17-7-2-5-11-20(17)31-15-21(30)29-14-12-24(16-29)23(26-18-8-3-4-9-18)27-22-19(28-24)10-6-13-25-22/h2,5-7,10-11,13,18,28H,3-4,8-9,12,14-16H2,1H3,(H,25,26,27)/t24-/m0/s1

InChI Key

DAVRTBOLFKKLOE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27617223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

2.111

Water Solubility, LogSw

-3.45

Polar Surface Area

65.757

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

S031-1226 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S031-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S031-1226?
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What is the minimum amount of S031-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S031-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S031-1226
  • 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 S031-1226 available by request