G786-1091 Screening compound: (2E)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide
Chemical Structure Depiction of ChemDiv screening compound G786-1091
(2E)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide
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
G786-1091
Molecular Formula
C15H11N3OS2 (C15 H11 N3 OS2)
Compound Name
(2E)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide
IUPAC name
(2E)-N-[4-(pyridin-2-yl)-13-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide
SMILES
O=C(/C=C/c1cccs1)Nc1nc(-c2ncccc2)cs1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
313.4
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.550
Distribution Coefficient, logD
3.549
Water Solubility, LogSw
-3.67
Polar Surface Area
42.957
Acid Dissociation Constant (pKa)
11.02
Base Dissociation Constant (pKb)
3.68
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
G786-1091 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Receptors Annotated Library (5376 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Covalent Inhibitors Library (7986 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Proteases
- Cyclic compounds
- 3D
- Fragments
References: we are preparing a list of scientific research reports with G786-1091 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)