T640-0079 Screening compound: 1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound T640-0079
1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
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
T640-0079
Molecular Formula
C13H13N3O2 (C13 H13 N3 O2)
Compound Name
1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
IUPAC name
1-(23-dihydro-1H-inden-5-yl)-5-methyl-1H-123-triazole-4-carboxylic acid
SMILES
Cc1c(C(O)=O)nnn1-c1cc(CCC2)c2cc1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
243.27
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
1.660
Distribution Coefficient, logD
-4.507
Water Solubility, LogSw
-1.84
Polar Surface Area
55.776
Acid Dissociation Constant (pKa)
1.23
Base Dissociation Constant (pKb)
-1.20
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.80
T640-0079 in Drug Discovery
Included in Screening Libraries
Fragments Library (11262 compounds)
SmartTM Library (51161 compounds)
Soluble Diversity Library (15920 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Fragments
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with T640-0079 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)