F844-1235 Screening compound: ethyl 1-(1-oxo-2-{[(propan-2-yl)carbamoyl]methyl}-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate
Chemical Structure Depiction of ChemDiv screening compound F844-1235
ethyl 1-(1-oxo-2-{[(propan-2-yl)carbamoyl]methyl}-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate
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
F844-1235
Molecular Formula
C22H28N6O4 (C22 H28 N6 O4)
Compound Name
ethyl 1-(1-oxo-2-{[(propan-2-yl)carbamoyl]methyl}-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxylate
IUPAC name
ethyl 1-(1-oxo-2-{[(propan-2-yl)carbamoyl]methyl}-1H2H-[124]triazolo[43-a]quinoxalin-4-yl)piperidine-4-carboxylate
SMILES
CCOC(C(CC1)CCN1C(C1=NN2CC(NC(C)C)=O)=Nc(cccc3)c3N1C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.5
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.669
Distribution Coefficient, logD
1.669
Water Solubility, LogSw
-2.30
Polar Surface Area
86.230
Acid Dissociation Constant (pKa)
16.15
Base Dissociation Constant (pKb)
2.51
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
F844-1235 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
- Kinases
References: we are preparing a list of scientific research reports with F844-1235 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)