T640-0432 Screening compound: 1-(2-fluoro-5-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound T640-0432
1-(2-fluoro-5-methylphenyl)-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
T640-0432
Molecular Formula
C10H8FN3O2 (C10 H8 FN3 O2)
Compound Name
1-(2-fluoro-5-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
IUPAC name
1-(2-fluoro-5-methylphenyl)-1H-123-triazole-4-carboxylic acid
SMILES
Cc(cc1)cc(-n2nnc(C(O)=O)c2)c1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
221.19
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
1.487
Distribution Coefficient, logD
-4.704
Water Solubility, LogSw
-1.62
Polar Surface Area
54.711
Acid Dissociation Constant (pKa)
1.21
Base Dissociation Constant (pKb)
-2.59
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.00
T640-0432 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Cardiovascular Library (22201 compounds)
Fragments Library (11262 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cardiovascular
- Epigenetic
- Fragments
References: we are preparing a list of scientific research reports with T640-0432 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)