Y040-5817 Screening compound: methyl 4-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]pentanoate
Chemical Structure Depiction of ChemDiv screening compound Y040-5817
methyl 4-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]pentanoate
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
Y040-5817
Molecular Formula
C16H20N4O4 (C16 H20 N4 O4)
Compound Name
methyl 4-methyl-2-[2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamido]pentanoate
IUPAC name
methyl (2S)-4-methyl-2-[2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)acetamido]pentanoate
SMILES
CC(C)CC(C(OC)=O)NC(CN1N=Nc(cccc2)c2C1=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
332.36
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.668
Distribution Coefficient, logD
1.668
Water Solubility, LogSw
-2.57
Polar Surface Area
86.480
Acid Dissociation Constant (pKa)
13.47
Base Dissociation Constant (pKb)
-1.20
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
43.75
Y040-5817 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with Y040-5817 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)