K889-1546 Screening compound: N-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
Chemical Structure Depiction of ChemDiv screening compound K889-1546
N-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-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
K889-1546
Molecular Formula
C20H22N4O5S (C20 H22 N4 O5 S)
Compound Name
N-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-{5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetamide
IUPAC name
N-{[(34-dimethoxyphenyl)carbamoyl]methyl}-2-{56-dimethyl-4-oxo-3H4H-thieno[23-d]pyrimidin-3-yl}acetamide
SMILES
Cc1c(C)sc(N=CN2CC(NCC(Nc(cc3)cc(OC)c3OC)=O)=O)c1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
430.48
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.687
Distribution Coefficient, logD
1.687
Water Solubility, LogSw
-2.63
Polar Surface Area
89.123
Acid Dissociation Constant (pKa)
11.51
Base Dissociation Constant (pKb)
2.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.00
K889-1546 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Dark Chemical Matter Library (18430 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
References: we are preparing a list of scientific research reports with K889-1546 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)