K305-0043 Screening compound: ethyl 2-{2-[3-(3,4-dichlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate
Chemical Structure Depiction of ChemDiv screening compound K305-0043
ethyl 2-{2-[3-(3,4-dichlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate
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
K305-0043
Molecular Formula
C27H24Cl2N4O6S (C27 H24 Cl2 N4 O6 S)
Compound Name
ethyl 2-{2-[3-(3,4-dichlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetamido}benzoate
IUPAC name
ethyl 2-{2-[3-(34-dichlorophenyl)-6-(dimethylcarbamoyl)-5-methyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]acetamido}benzoate
SMILES
CCOC(c(cccc1)c1NC(CN(c(sc(C(N(C)C)=O)c1C)c1C(N1c(cc2)cc(Cl)c2Cl)=O)C1=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
603.48
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
4.160
Distribution Coefficient, logD
4.152
Water Solubility, LogSw
-4.68
Polar Surface Area
90.313
Acid Dissociation Constant (pKa)
9.11
Base Dissociation Constant (pKb)
-0.83
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
22.20
References: we are preparing a list of scientific research reports with K305-0043 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)