8009-8814 Screening compound: N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound 8009-8814
N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
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
8009-8814
Molecular Formula
C13H12FN5O2S (C13 H12 FN5 O2 S)
Compound Name
N-(3-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
IUPAC name
N-(3-fluorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidine-2-sulfonamide
SMILES
Cc1cc(C)nc2nc(S(Nc3cc(F)ccc3)(=O)=O)nn12
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
321.34
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.752
Distribution Coefficient, logD
0.763
Water Solubility, LogSw
-2.45
Polar Surface Area
71.029
Acid Dissociation Constant (pKa)
6.46
Base Dissociation Constant (pKb)
1.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.40
8009-8814 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Antifungal Library (16415 compounds)
Antiviral Library (67538 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Agro
- Agro
References: we are preparing a list of scientific research reports with 8009-8814 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)