CM3884-0406 Screening compound: 3-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]-3,9-diazaspiro[5.6]dodecan-10-one

CM3884-0406 Screening compound: 3-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]-3,9-diazaspiro[5.6]dodecan-10-one
CM3884-0406 Screening compound: 3-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]-3,9-diazaspiro[5.6]dodecan-10-one alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3884-0406
3-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]-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

CM3884-0406

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

3-[3-(3-phenyl-1,2-oxazol-4-yl)propanoyl]-3,9-diazaspiro[5.6]dodecan-10-one

IUPAC name

3-[3-(3-phenyl-12-oxazol-4-yl)propanoyl]-39-diazaspiro[5.6]dodecan-10-one

SMILES

O=C(CCc1conc1-c1ccccc1)N(CC1)CCC1(CC1)CCNC1=O

InChI

InChI=1S/C22H27N3O3/c26-19-8-9-22(10-13-23-19)11-14-25(15-12-22)20(27)7-6-18-16-28-24-21(18)17-4-2-1-3-5-17/h1-5,16H,6-15H2,(H,23,26)

InChI Key

RMSCGDBVPOGPLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.279

Distribution Coefficient, logD

1.279

Water Solubility, LogSw

-1.82

Polar Surface Area

65.634

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

CM3884-0406 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with CM3884-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3884-0406?
Check Price and Availability of CM3884-0406, 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 CM3884-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3884-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3884-0406
  • 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 CM3884-0406 available by request