8012-4658 Screening compound: 1-(benzenesulfonyl)-4-[2-(benzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-3-(4-fluorophenyl)-1H-pyrazole
Chemical Structure Depiction of ChemDiv screening compound 8012-4658
1-(benzenesulfonyl)-4-[2-(benzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-3-(4-fluorophenyl)-1H-pyrazole
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
8012-4658
Molecular Formula
C32H27FN4O4S2 (C32 H27 FN4 O4 S2)
Compound Name
1-(benzenesulfonyl)-4-[2-(benzenesulfonyl)-1H,2H,3H,5H,6H,10bH-imidazo[4,3-a]isoquinolin-3-yl]-3-(4-fluorophenyl)-1H-pyrazole
IUPAC name
1-(benzenesulfonyl)-4-[2-(benzenesulfonyl)-1H2H3H5H6H10bH-imidazo[43-a]isoquinolin-3-yl]-3-(4-fluorophenyl)-1H-pyrazole
SMILES
O=S(c1ccccc1)(N(C1)C(c(c(-c(cc2)ccc2F)n2)cn2S(c2ccccc2)(=O)=O)N(CC2)C1c1c2cccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
614.72
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.503
Distribution Coefficient, logD
5.503
Water Solubility, LogSw
-5.86
Polar Surface Area
77.132
Acid Dissociation Constant (pKa)
20.07
Base Dissociation Constant (pKb)
3.86
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
15.60
8012-4658 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 8012-4658 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)