C368-0836 Screening compound: 5-amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-(2,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C368-0836
5-amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-(2,5-dimethylphenyl)-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
C368-0836
Molecular Formula
C21H24N6O4 (C21 H24 N6 O4)
Compound Name
5-amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-(2,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
IUPAC name
5-amino-1-{[(24-dimethoxyphenyl)carbamoyl]methyl}-N-(25-dimethylphenyl)-1H-123-triazole-4-carboxamide
SMILES
Cc1cc(NC(c2c(N)n(CC(Nc(ccc(OC)c3)c3OC)=O)nn2)=O)c(C)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
424.46
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
4.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.673
Distribution Coefficient, logD
1.673
Water Solubility, LogSw
-2.41
Polar Surface Area
106.215
Acid Dissociation Constant (pKa)
11.12
Base Dissociation Constant (pKb)
3.36
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
23.80
C368-0836 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with C368-0836 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)