S672-0387 Screening compound: (7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)[1-(4-methoxyphenyl)cyclopropyl]methanone

S672-0387 Screening compound: (7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)[1-(4-methoxyphenyl)cyclopropyl]methanone
S672-0387 Screening compound: (7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)[1-(4-methoxyphenyl)cyclopropyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S672-0387
(7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)[1-(4-methoxyphenyl)cyclopropyl]methanone

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

S672-0387

Molecular Formula

C22H32N2O3 (C22 H32 N2 O3)

Compound Name

(7-ethyl-3-oxa-7,11-diazaspiro[5.6]dodec-11-yl)[1-(4-methoxyphenyl)cyclopropyl]methanone

IUPAC name

7-ethyl-11-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-3-oxa-711-diazaspiro[5.6]dodecane

SMILES

CCN(CCC1)C2(CCOCC2)CN1C(C1(CC1)c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H32N2O3/c1-3-24-14-4-13-23(17-21(24)11-15-27-16-12-21)20(25)22(9-10-22)18-5-7-19(26-2)8-6-18/h5-8H,3-4,9-17H2,1-2H3

InChI Key

AENBZEGOICYNLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

0.977

Water Solubility, LogSw

-3.00

Polar Surface Area

35.959

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.18

S672-0387 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 S672-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S672-0387?
Check Price and Availability of S672-0387, 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 S672-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S672-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S672-0387
  • 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 S672-0387 available by request