CM4670A-2828 Screening compound: 2-(3-fluoro-4-methoxybenzoyl)-8-methyl-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]-2,8-diazaspiro[4.5]decane

CM4670A-2828 Screening compound: 2-(3-fluoro-4-methoxybenzoyl)-8-methyl-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]-2,8-diazaspiro[4.5]decane
CM4670A-2828 Screening compound: 2-(3-fluoro-4-methoxybenzoyl)-8-methyl-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4670A-2828
2-(3-fluoro-4-methoxybenzoyl)-8-methyl-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]-2,8-diazaspiro[4.5]decane

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

CM4670A-2828

Molecular Formula

C22H29FN4O3 (C22 H29 FN4 O3)

Compound Name

2-(3-fluoro-4-methoxybenzoyl)-8-methyl-4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]-2,8-diazaspiro[4.5]decane

IUPAC name

2-(3-fluoro-4-methoxybenzoyl)-8-methyl-4-[5-(propan-2-yl)-134-oxadiazol-2-yl]-28-diazaspiro[4.5]decane

SMILES

CC(C)c1nnc(C(CN(C2)C(c(cc3)cc(F)c3OC)=O)C22CCN(C)CC2)o1

InChI

InChI=1S/C22H29FN4O3/c1-14(2)19-24-25-20(30-19)16-12-27(13-22(16)7-9-26(3)10-8-22)21(28)15-5-6-18(29-4)17(23)11-15/h5-6,11,14,16H,7-10,12-13H2,1-4H3/t16-/m0/s1

InChI Key

CGFCHKCYESIQIX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30460121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.069

Distribution Coefficient, logD

0.024

Water Solubility, LogSw

-2.72

Polar Surface Area

58.663

Acid Dissociation Constant (pKa)

25.94

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

CM4670A-2828 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM4670A-2828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4670A-2828?
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What is the minimum amount of CM4670A-2828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4670A-2828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4670A-2828
  • 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 CM4670A-2828 available by request