6494-0088 Screening compound: 3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one
Chemical Structure Depiction of ChemDiv screening compound 6494-0088
3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-2,3-dihydro-1,3-benzoxazol-2-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
6494-0088
Molecular Formula
C19H21NO4 (C19 H21 NO4)
Compound Name
3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one
IUPAC name
3-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5-methyl-23-dihydro-13-benzoxazol-2-one
SMILES
CC(C)Oc(ccc(CN(c(cc(C)cc1)c1O1)C1=O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
327.38
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
3.948
Distribution Coefficient, logD
3.948
Water Solubility, LogSw
-4.07
Polar Surface Area
37.587
Acid Dissociation Constant (pKa)
26.39
Base Dissociation Constant (pKb)
-2.61
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.60
6494-0088 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Inflammatory Library (24602 compounds)
CNS targets activity set (6557 compounds)
Cardiovascular Library (22201 compounds)
STING Agonist Library (5895 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Cardiovascular
- Cancer
- Immune system
- Others
References: we are preparing a list of scientific research reports with 6494-0088 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 6494-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)