G499-0172 Screening compound: 1-[4-(4-chlorobenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenyl)ethan-1-one

G499-0172 Screening compound: 1-[4-(4-chlorobenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenyl)ethan-1-one
G499-0172 Screening compound: 1-[4-(4-chlorobenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G499-0172
1-[4-(4-chlorobenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenyl)ethan-1-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

G499-0172

Molecular Formula

C22H25ClN2O4S (C22 H25 ClN2 O4 S)

Compound Name

1-[4-(4-chlorobenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenyl)ethan-1-one

IUPAC name

1-[4-(4-chlorobenzenesulfonyl)-1-oxa-48-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenyl)ethan-1-one

SMILES

Cc1cccc(CC(N(CC2)CCC22OCCN2S(c(cc2)ccc2Cl)(=O)=O)=O)c1

InChI

InChI=1S/C22H25ClN2O4S/c1-17-3-2-4-18(15-17)16-21(26)24-11-9-22(10-12-24)25(13-14-29-22)30(27,28)20-7-5-19(23)6-8-20/h2-8,15H,9-14,16H2,1H3

InChI Key

QEZGAJCOGIUABP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.03

Polar Surface Area

55.048

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G499-0172 in Drug Discovery

Included in Screening Libraries

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 G499-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G499-0172?
Check Price and Availability of G499-0172, 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 G499-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G499-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G499-0172
  • 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 G499-0172 available by request