S672-0385 Screening compound: 1-(7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)-2-methyl-1-propanone

S672-0385 Screening compound: 1-(7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)-2-methyl-1-propanone
S672-0385 Screening compound: 1-(7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S672-0385
1-(7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)-2-methyl-1-propanone

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

S672-0385

Molecular Formula

C15H28N2O2 (C15 H28 N2 O2)

Compound Name

1-(7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)-2-methyl-1-propanone

IUPAC name

1-{7-ethyl-3-oxa-711-diazaspiro[5.6]dodecan-11-yl}-2-methylpropan-1-one

SMILES

CCN(CCC1)C2(CCOCC2)CN1C(C(C)C)=O

InChI

InChI=1S/C15H28N2O2/c1-4-17-9-5-8-16(14(18)13(2)3)12-15(17)6-10-19-11-7-15/h13H,4-12H2,1-3H3

InChI Key

YBGWXRNWIFFTAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.919

Distribution Coefficient, logD

0.213

Water Solubility, LogSw

-1.79

Polar Surface Area

28.435

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

93.33

S672-0385 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Allosteric Kinases Inhibitors Library (23117 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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S672-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S672-0385?
Check Price and Availability of S672-0385, 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 S672-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S672-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S672-0385
  • 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 S672-0385 available by request