8006-9270 Screening compound: 3-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propanoic acid
Chemical Structure Depiction of ChemDiv screening compound 8006-9270
3-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propanoic 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
8006-9270
Molecular Formula
C5H5N5O6 (C5 H5 N5 O6)
Compound Name
3-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propanoic acid
IUPAC name
3-(35-dinitro-1H-124-triazol-1-yl)propanoic acid
SMILES
[O-][N+](c1nc([N+]([O-])=O)nn1CCC(O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
231.12
Hydrogen Bond Acceptors Count
13.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
-1.177
Distribution Coefficient, logD
-4.010
Water Solubility, LogSw
-0.35
Polar Surface Area
117.889
Acid Dissociation Constant (pKa)
4.57
Base Dissociation Constant (pKb)
-3.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
References: we are preparing a list of scientific research reports with 8006-9270 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)