V012-1724 Screening compound: ethyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of ChemDiv screening compound V012-1724
ethyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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
V012-1724
Molecular Formula
C25H33N3O5S (C25 H33 N3 O5 S)
Compound Name
ethyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
IUPAC name
ethyl 2-({benzyl[2-hydroxy-3-(2-methylpropoxy)propyl]amino}methyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate
SMILES
CCOC(c1c(C)c(C(NC(CN(CC(COCC(C)C)O)Cc2ccccc2)=N2)=O)c2s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
487.62
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.510
Distribution Coefficient, logD
3.507
Water Solubility, LogSw
-3.77
Polar Surface Area
84.593
Acid Dissociation Constant (pKa)
9.50
Base Dissociation Constant (pKb)
3.59
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
48.00
V012-1724 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Antiviral Library (67538 compounds)
CORONAVIRUS Library (20774 compounds)
Anti-HIV1 Library (19540 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with V012-1724 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)