0978-8264 Screening compound: 7-chloro-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of ChemDiv screening compound 0978-8264
7-chloro-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-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
0978-8264
Molecular Formula
C17H12ClNO3 (C17 H12 ClNO3)
Compound Name
7-chloro-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one
IUPAC name
7-chloro-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-4H-31-benzoxazin-4-one
SMILES
COc1c(/C=C/C(O2)=Nc(cc(cc3)Cl)c3C2=O)cccc1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
313.74
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.320
Distribution Coefficient, logD
4.320
Water Solubility, LogSw
-4.73
Polar Surface Area
37.962
Acid Dissociation Constant (pKa)
33.29
Base Dissociation Constant (pKb)
-2.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.90
0978-8264 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
STING Agonist Library (5895 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Included in 1.7M Stock Database
- Pool
- Cancer
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Others
- Proteases
References: we are preparing a list of scientific research reports with 0978-8264 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)