K284-7458 Screening compound: 2-[({3-[3-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of ChemDiv screening compound K284-7458
2-[({3-[3-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]benzonitrile
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
K284-7458
Molecular Formula
C35H26N6O2S2 (C35 H26 N6 O2 S2)
Compound Name
2-[({3-[3-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)methyl]benzonitrile
IUPAC name
2-[({3-[3-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)propyl]-4-oxo-34-dihydroquinazolin-2-yl}sulfanyl)methyl]benzonitrile
SMILES
N#Cc1c(CSC(N2CCCN3C(SCc(cccc4)c4C#N)=Nc(cccc4)c4C3=O)=Nc(cccc3)c3C2=O)cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
626.76
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.616
Distribution Coefficient, logD
5.616
Water Solubility, LogSw
-5.71
Polar Surface Area
85.644
Acid Dissociation Constant (pKa)
27.65
Base Dissociation Constant (pKb)
1.54
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
K284-7458 in Drug Discovery
Included in Screening Libraries
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with K284-7458 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)