8006-9616 Screening compound: 2-{2-[4-(1,3-dioxo-4-phenyl-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]-1H-1,3-benzimidazol-5-yl}-4-phenyl-1H-benzo[f]isoindole-1,3(2H)-dione
Chemical Structure Depiction of ChemDiv screening compound 8006-9616
2-{2-[4-(1,3-dioxo-4-phenyl-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]-1H-1,3-benzimidazol-5-yl}-4-phenyl-1H-benzo[f]isoindole-1,3(2H)-dione
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
8006-9616
Molecular Formula
C49H28N4O4 (C49 H28 N4 O4)
Compound Name
2-{2-[4-(1,3-dioxo-4-phenyl-1,3-dihydro-2H-benzo[f]isoindol-2-yl)phenyl]-1H-1,3-benzimidazol-5-yl}-4-phenyl-1H-benzo[f]isoindole-1,3(2H)-dione
IUPAC name
2-[4-(5-{13-dioxo-4-phenyl-1H2H3H-benzo[f]isoindol-2-yl}-1H-13-benzodiazol-2-yl)phenyl]-4-phenyl-1H2H3H-benzo[f]isoindole-13-dione
SMILES
O=C(c1cc2ccccc2c(-c2ccccc2)c1C1=O)N1c(cc1)ccc1-c1nc(cc(cc2)N(C(c3cc4ccccc4c(-c4ccccc4)c33)=O)C3=O)c2[nH]1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
736.79
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
9.094
Distribution Coefficient, logD
9.094
Water Solubility, LogSw
-7.24
Polar Surface Area
75.455
Acid Dissociation Constant (pKa)
11.93
Base Dissociation Constant (pKb)
1.70
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
References: we are preparing a list of scientific research reports with 8006-9616 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)