F833-1067 Screening compound: N~1~-(4-chlorobenzyl)-2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound F833-1067
N~1~-(4-chlorobenzyl)-2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
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
F833-1067
Molecular Formula
C24H21ClN6O2 (C24 H21 ClN6 O2)
Compound Name
N~1~-(4-chlorobenzyl)-2-[9-(2,5-dimethylphenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamide
IUPAC name
N-[(4-chlorophenyl)methyl]-2-[11-(25-dimethylphenyl)-5-oxo-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2710-tetraen-4-yl]acetamide
SMILES
Cc1cc(-c2nn(C=CN(C3=NN4CC(NCc(cc5)ccc5Cl)=O)C4=O)c3c2)c(C)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
460.92
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.552
Distribution Coefficient, logD
3.552
Water Solubility, LogSw
-3.86
Polar Surface Area
67.791
Acid Dissociation Constant (pKa)
13.40
Base Dissociation Constant (pKb)
-0.44
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
F833-1067 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with F833-1067 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)