8018-2898 Screening compound: methyl 2-(1H-1,2,4-triazol-1-yl)acetate
Chemical Structure Depiction of ChemDiv screening compound 8018-2898
methyl 2-(1H-1,2,4-triazol-1-yl)acetate
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
8018-2898
Molecular Formula
C5H7N3O2 (C5 H7 N3 O2)
Compound Name
methyl 2-(1H-1,2,4-triazol-1-yl)acetate
IUPAC name
methyl 2-(1H-124-triazol-1-yl)acetate
SMILES
COC(Cn1ncnc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
141.13
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
-0.875
Distribution Coefficient, logD
-0.875
Water Solubility, LogSw
0.21
Polar Surface Area
46.066
Acid Dissociation Constant (pKa)
20.32
Base Dissociation Constant (pKb)
2.90
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
References: we are preparing a list of scientific research reports with 8018-2898 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)