K891-0154 Screening compound: 3-amino-4-(furan-2-yl)-N-(2,4,6-trimethylphenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound K891-0154
3-amino-4-(furan-2-yl)-N-(2,4,6-trimethylphenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
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
K891-0154
Molecular Formula
C25H25N3O2S (C25 H25 N3 O2 S)
Compound Name
3-amino-4-(furan-2-yl)-N-(2,4,6-trimethylphenyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
IUPAC name
3-amino-4-(furan-2-yl)-N-(246-trimethylphenyl)-5H6H7H8H-thieno[23-b]quinoline-2-carboxamide
SMILES
Cc(cc1C)cc(C)c1NC(c(sc1nc(CCCC2)c2c(-c2ccco2)c11)c1N)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
431.56
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.264
Distribution Coefficient, logD
5.263
Water Solubility, LogSw
-5.27
Polar Surface Area
60.769
Acid Dissociation Constant (pKa)
11.81
Base Dissociation Constant (pKb)
4.75
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.00
K891-0154 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with K891-0154 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)