3972-1706 Screening compound: 2-[(Z)-1-(2-pyridyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
Chemical Structure Depiction of ChemDiv screening compound 3972-1706
2-[(Z)-1-(2-pyridyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
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
3972-1706
Molecular Formula
C15H9N3OS (C15 H9 N3 OS)
Compound Name
2-[(Z)-1-(2-pyridyl)methylidene][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
IUPAC name
(4Z)-4-[(pyridin-2-yl)methylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-3-one
SMILES
O=C(/C(/S1)=C/c2ncccc2)n2c1nc1c2cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
279.32
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.393
Distribution Coefficient, logD
2.393
Water Solubility, LogSw
-2.48
Polar Surface Area
33.996
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
3.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
3972-1706 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 3972-1706 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)