C226-3388 Screening compound: N-(3-acetylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C226-3388
N-(3-acetylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
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
C226-3388
Molecular Formula
C16H16N2O3 (C16 H16 N2 O3)
Compound Name
N-(3-acetylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
IUPAC name
N-(3-acetylphenyl)-4567-tetrahydro-12-benzoxazole-3-carboxamide
SMILES
CC(c1cccc(NC(c2noc3c2CCCC3)=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
284.31
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.577
Distribution Coefficient, logD
2.575
Water Solubility, LogSw
-2.93
Polar Surface Area
59.556
Acid Dissociation Constant (pKa)
9.92
Base Dissociation Constant (pKb)
-3.47
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.30
C226-3388 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
CNS MPO Library (28609 compounds)
Human Proteases Annotated Library (2868 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Nervous system
- Epigenetic
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with C226-3388 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)