CM3034-3620 Screening compound: 2-(3,4-difluorobenzoyl)-4-[(pyridin-4-yloxy)methyl]-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of ChemDiv screening compound CM3034-3620
2-(3,4-difluorobenzoyl)-4-[(pyridin-4-yloxy)methyl]-8-oxa-2-azaspiro[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
CM3034-3620
Molecular Formula
C21H22F2N2O3 (C21 H22 F2 N2 O3)
Compound Name
2-(3,4-difluorobenzoyl)-4-[(pyridin-4-yloxy)methyl]-8-oxa-2-azaspiro[4.5]decane
IUPAC name
2-(34-difluorobenzoyl)-4-[(pyridin-4-yloxy)methyl]-8-oxa-2-azaspiro[4.5]decane
SMILES
O=C(c(cc1)cc(F)c1F)N1CC2(CCOCC2)C(COc2ccncc2)C1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
388.41
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
2.240
Distribution Coefficient, logD
2.240
Water Solubility, LogSw
-2.54
Polar Surface Area
41.604
Acid Dissociation Constant (pKa)
26.97
Base Dissociation Constant (pKb)
4.11
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
42.86
CM3034-3620 in Drug Discovery
Included in Screening Libraries
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)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with CM3034-3620 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)