G369-0030 Screening compound: 1'-(2,4-dimethylbenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

G369-0030 Screening compound: 1'-(2,4-dimethylbenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one
G369-0030 Screening compound: 1'-(2,4-dimethylbenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G369-0030
1'-(2,4-dimethylbenzenesulfonyl)-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

G369-0030

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

1'-(2,4-dimethylbenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

IUPAC name

1'-(24-dimethylbenzenesulfonyl)-34-dihydrospiro[13-benzoxazine-24'-piperidin]-4-one

SMILES

Cc(cc1)cc(C)c1S(N(CC1)CCC1(N1)Oc(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C20H22N2O4S/c1-14-7-8-18(15(2)13-14)27(24,25)22-11-9-20(10-12-22)21-19(23)16-5-3-4-6-17(16)26-20/h3-8,13H,9-12H2,1-2H3,(H,21,23)

InChI Key

YVLVTETUWCOUBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15004616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

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

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.74

Polar Surface Area

64.184

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G369-0030 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G369-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G369-0030?
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What is the minimum amount of G369-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G369-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G369-0030
  • 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 G369-0030 available by request