P114-1173 Screening compound: 4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1-(4-methoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridine
Chemical Structure Depiction of ChemDiv screening compound P114-1173
4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1-(4-methoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridine
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
P114-1173
Molecular Formula
C21H23N3O3S (C21 H23 N3 O3 S)
Compound Name
4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1-(4-methoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridine
IUPAC name
4-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-1-(4-methoxybenzenesulfonyl)-1236-tetrahydropyridine
SMILES
CCn1c(nccc2)c2c(C(CC2)=CCN2S(c(cc2)ccc2OC)(=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.5
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.370
Distribution Coefficient, logD
3.369
Water Solubility, LogSw
-3.45
Polar Surface Area
50.857
Acid Dissociation Constant (pKa)
25.09
Base Dissociation Constant (pKb)
4.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
P114-1173 in Drug Discovery
Included in Screening Libraries
Hsp90-Targeted Library (11355 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with P114-1173 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)