ZC45-0141 Screening compound: [2-benzoyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl](1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of ChemDiv screening compound ZC45-0141
[2-benzoyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl](1H-pyrazol-4-yl)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
ZC45-0141
Molecular Formula
C22H23N5O3 (C22 H23 N5 O3)
Compound Name
[2-benzoyl-4-(1,3-oxazol-2-yl)-2,8-diazaspiro[4.5]dec-8-yl](1H-pyrazol-4-yl)methanone
IUPAC name
2-benzoyl-4-(13-oxazol-2-yl)-8-(1H-pyrazole-4-carbonyl)-28-diazaspiro[4.5]decane
SMILES
O=C(c1c[nH]nc1)N(CC1)CCC1(CN(C1)C(c2ccccc2)=O)C1c1ncco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
405.46
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.755
Distribution Coefficient, logD
0.755
Water Solubility, LogSw
-1.69
Polar Surface Area
75.658
Acid Dissociation Constant (pKa)
10.20
Base Dissociation Constant (pKb)
1.90
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.36
ZC45-0141 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with ZC45-0141 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)