S509-0628 Screening compound: 9-benzyl-3-(2-methylpropanoyl)-3,9-diazaspiro[5.6]dodecan-10-one

S509-0628 Screening compound: 9-benzyl-3-(2-methylpropanoyl)-3,9-diazaspiro[5.6]dodecan-10-one
S509-0628 Screening compound: 9-benzyl-3-(2-methylpropanoyl)-3,9-diazaspiro[5.6]dodecan-10-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S509-0628
9-benzyl-3-(2-methylpropanoyl)-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

S509-0628

Molecular Formula

C21H30N2O2 (C21 H30 N2 O2)

Compound Name

9-benzyl-3-(2-methylpropanoyl)-3,9-diazaspiro[5.6]dodecan-10-one

IUPAC name

9-benzyl-3-(2-methylpropanoyl)-39-diazaspiro[5.6]dodecan-10-one

SMILES

CC(C)C(N(CC1)CCC1(CC1)CCN(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C21H30N2O2/c1-17(2)20(25)22-13-10-21(11-14-22)9-8-19(24)23(15-12-21)16-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3

InChI Key

QYKHNFXMVOVNCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.44

Polar Surface Area

34.114

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

S509-0628 in Drug Discovery

Included in Screening Libraries

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 S509-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S509-0628?
Check Price and Availability of S509-0628, 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 S509-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S509-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S509-0628
  • 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 S509-0628 available by request