K292-1310 Screening compound: 4-(2-{[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of ChemDiv screening compound K292-1310
4-(2-{[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)butanamide
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
K292-1310
Molecular Formula
C28H25N3O5S2 (C28 H25 N3 O5 S2)
Compound Name
4-(2-{[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)butanamide
IUPAC name
4-(2-{[(7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl)-N-(2-phenylethyl)butanamide
SMILES
Oc(cc1)cc(O2)c1C(CSC(N(CCCC(NCCc1ccccc1)=O)C1=O)=Nc3c1scc3)=CC2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
547.66
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.884
Distribution Coefficient, logD
2.855
Water Solubility, LogSw
-3.63
Polar Surface Area
89.105
Acid Dissociation Constant (pKa)
8.56
Base Dissociation Constant (pKb)
0.72
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.40
K292-1310 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Eccentric PPI Library (11937 compounds)
Hsp90-Targeted Library (11355 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with K292-1310 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)