D443-1850 Screening compound: N-(2,4-dimethoxyphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D443-1850
N-(2,4-dimethoxyphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-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
D443-1850
Molecular Formula
C25H21N5O4 (C25 H21 N5 O4)
Compound Name
N-(2,4-dimethoxyphenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
IUPAC name
N-(24-dimethoxyphenyl)-5-methyl-1-(3-phenyl-21-benzoxazol-5-yl)-1H-123-triazole-4-carboxamide
SMILES
Cc1c(C(Nc(ccc(OC)c2)c2OC)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
455.47
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.547
Distribution Coefficient, logD
4.543
Water Solubility, LogSw
-4.44
Polar Surface Area
86.132
Acid Dissociation Constant (pKa)
9.44
Base Dissociation Constant (pKb)
-0.71
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.00
D443-1850 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Anticancer Library (62698 compounds)
Antifungal Library (16415 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Infections
- Immune system
- animal
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Agro
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with D443-1850 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)