D323-0358 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)propan-1-one
Chemical Structure Depiction of ChemDiv screening compound D323-0358
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)propan-1-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
D323-0358
Molecular Formula
C22H23ClN2O3 (C22 H23 ClN2 O3)
Compound Name
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)propan-1-one
IUPAC name
1-[4-(13-benzoxazol-2-yl)piperidin-1-yl]-2-(4-chloro-3-methylphenoxy)propan-1-one
SMILES
CC(C(N(CC1)CCC1c1nc(cccc2)c2o1)=O)Oc(cc1)cc(C)c1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
398.89
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
5.347
Distribution Coefficient, logD
5.347
Water Solubility, LogSw
-5.85
Polar Surface Area
40.486
Acid Dissociation Constant (pKa)
22.48
Base Dissociation Constant (pKb)
-0.61
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.40
D323-0358 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- PPI modulators
- Receptor's ligands
- Immune system
References: we are preparing a list of scientific research reports with D323-0358 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)