7771-0711 Screening compound: 3-methyl-2-{[(2E)-1-(prop-2-en-1-yl)-1,2-dihydropyridin-2-ylidene]methyl}-1,3-benzothiazol-3-ium
Chemical Structure Depiction of ChemDiv screening compound 7771-0711
3-methyl-2-{[(2E)-1-(prop-2-en-1-yl)-1,2-dihydropyridin-2-ylidene]methyl}-1,3-benzothiazol-3-ium
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
7771-0711
Molecular Formula
C17H17N2S (C17 H17 N2 S)
Compound Name
3-methyl-2-{[(2E)-1-(prop-2-en-1-yl)-1,2-dihydropyridin-2-ylidene]methyl}-1,3-benzothiazol-3-ium
IUPAC name
3-methyl-2-{[(2E)-1-(prop-2-en-1-yl)-12-dihydropyridin-2-ylidene]methyl}-13-benzothiazol-3-ium
SMILES
C[n+]1c(/C=C2/N(CC=C)C=CC=C2)sc2c1cccc2
InChI Key
Chemical and Physical Properties
Saltdata
I-
Molecular Weight
281.4
Hydrogen Bond Acceptors Count
0.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
4.193
Distribution Coefficient, logD
4.193
Water Solubility, LogSw
-4.29
Polar Surface Area
3.725
Acid Dissociation Constant (pKa)
28.61
Base Dissociation Constant (pKb)
-7.88
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.80
7771-0711 in Drug Discovery
Included in Screening Libraries
Akt-Targeted Library (14764 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with 7771-0711 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)