G369-0023 Screening compound: 1'-(2,5-dimethoxybenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

G369-0023 Screening compound: 1'-(2,5-dimethoxybenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one
G369-0023 Screening compound: 1'-(2,5-dimethoxybenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G369-0023
1'-(2,5-dimethoxybenzenesulfonyl)-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

G369-0023

Molecular Formula

C20H22N2O6S (C20 H22 N2 O6 S)

Compound Name

1'-(2,5-dimethoxybenzenesulfonyl)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidin]-4-one

IUPAC name

1'-(25-dimethoxybenzenesulfonyl)-34-dihydrospiro[13-benzoxazine-24'-piperidin]-4-one

SMILES

COc(cc1)cc(S(N(CC2)CCC2(N2)Oc(cccc3)c3C2=O)(=O)=O)c1OC

InChI

InChI=1S/C20H22N2O6S/c1-26-14-7-8-17(27-2)18(13-14)29(24,25)22-11-9-20(10-12-22)21-19(23)15-5-3-4-6-16(15)28-20/h3-8,13H,9-12H2,1-2H3,(H,21,23)

InChI Key

UBCHGQXPQYFTKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15004611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-3.19

Polar Surface Area

79.358

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G369-0023 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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

References: we are preparing a list of scientific research reports with G369-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G369-0023?
Check Price and Availability of G369-0023, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G369-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G369-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G369-0023
  • 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 G369-0023 available by request