S509-1772 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-9-(2-methoxyethyl)-3,9-diazaspiro[5.6]dodecan-10-one

S509-1772 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-9-(2-methoxyethyl)-3,9-diazaspiro[5.6]dodecan-10-one
S509-1772 Screening compound: 3-(2,5-dimethylbenzenesulfonyl)-9-(2-methoxyethyl)-3,9-diazaspiro[5.6]dodecan-10-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S509-1772
3-(2,5-dimethylbenzenesulfonyl)-9-(2-methoxyethyl)-3,9-diazaspiro[5.6]dodecan-10-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

S509-1772

Molecular Formula

C21H32N2O4S (C21 H32 N2 O4 S)

Compound Name

3-(2,5-dimethylbenzenesulfonyl)-9-(2-methoxyethyl)-3,9-diazaspiro[5.6]dodecan-10-one

IUPAC name

3-(25-dimethylbenzenesulfonyl)-9-(2-methoxyethyl)-39-diazaspiro[5.6]dodecan-10-one

SMILES

Cc1cc(S(N(CC2)CCC2(CC2)CCN(CCOC)C2=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C21H32N2O4S/c1-17-4-5-18(2)19(16-17)28(25,26)23-12-9-21(10-13-23)7-6-20(24)22(11-8-21)14-15-27-3/h4-5,16H,6-15H2,1-3H3

InChI Key

MUUOBTQCELKOHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.56

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

2.372

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-2.56

Polar Surface Area

57.498

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S509-1772 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S509-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S509-1772?
Check Price and Availability of S509-1772, 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 S509-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S509-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S509-1772
  • 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 S509-1772 available by request