K953-0015 Screening compound: N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K953-0015
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-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
K953-0015
Molecular Formula
C31H21ClN2O5 (C31 H21 ClN2 O5)
Compound Name
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
IUPAC name
N-[2-(3-chloro-4-methoxyphenyl)-13-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-1H-isochromene-3-carboxamide
SMILES
Cc(cc1)ccc1C(c1c2cccc1)=C(C(Nc(cc1)cc3c1oc(-c(cc1)cc(Cl)c1OC)n3)=O)OC2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
536.97
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
6.466
Distribution Coefficient, logD
6.466
Water Solubility, LogSw
-6.13
Polar Surface Area
68.500
Acid Dissociation Constant (pKa)
10.63
Base Dissociation Constant (pKb)
-0.72
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.50
K953-0015 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
CORONAVIRUS Library (20774 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with K953-0015 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)