G369-0029 Screening compound: 1'-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

G369-0029 Screening compound: 1'-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one
G369-0029 Screening compound: 1'-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G369-0029
1'-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-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

G369-0029

Molecular Formula

C22H24N2O4S (C22 H24 N2 O4 S)

Compound Name

1'-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

IUPAC name

1'-(5678-tetrahydronaphthalene-2-sulfonyl)-34-dihydrospiro[13-benzoxazine-24'-piperidin]-4-one

SMILES

O=C1NC(CC2)(CCN2S(c2cc(CCCC3)c3cc2)(=O)=O)Oc2c1cccc2

InChI

InChI=1S/C22H24N2O4S/c25-21-19-7-3-4-8-20(19)28-22(23-21)11-13-24(14-12-22)29(26,27)18-10-9-16-5-1-2-6-17(16)15-18/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,23,25)

InChI Key

TXCHOARFXBNPSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15004615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-3.99

Polar Surface Area

64.105

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G369-0029 in Drug Discovery

Included in Screening Libraries

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G369-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G369-0029?
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What is the minimum amount of G369-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G369-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G369-0029
  • 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 G369-0029 available by request