Y010-1772 Screening compound: 12-oxo-6,7,8,9,10,12-hexahydrocyclohepta[b]indeno[1,2-e]pyrazin-5-ium-5-olate
Chemical Structure Depiction of ChemDiv screening compound Y010-1772
12-oxo-6,7,8,9,10,12-hexahydrocyclohepta[b]indeno[1,2-e]pyrazin-5-ium-5-olate
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
Y010-1772
Molecular Formula
C16H14N2O2 (C16 H14 N2 O2)
Compound Name
12-oxo-6,7,8,9,10,12-hexahydrocyclohepta[b]indeno[1,2-e]pyrazin-5-ium-5-olate
IUPAC name
18-oxo-210-diazatetracyclo[9.7.0.0^{39}.0^{1217}]octadeca-13(9)1012(17)1315-hexaen-10-ium-10-olate
SMILES
[O-][n+]1c(-c(cccc2)c2C2=O)c2nc2c1CCCCC2
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
266.3
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.099
Distribution Coefficient, logD
3.099
Water Solubility, LogSw
-3.51
Polar Surface Area
42.295
Acid Dissociation Constant (pKa)
21.46
Base Dissociation Constant (pKb)
-1.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.25
Y010-1772 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y010-1772 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)