2237-1659 Screening compound: 5-amino-3-[(1Z)-1-cyano-2-(4-hydroxy-3-methoxyphenyl)eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile
Chemical Structure Depiction of ChemDiv screening compound 2237-1659
5-amino-3-[(1Z)-1-cyano-2-(4-hydroxy-3-methoxyphenyl)eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile
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
2237-1659
Molecular Formula
C14H11N5O2 (C14 H11 N5 O2)
Compound Name
5-amino-3-[(1Z)-1-cyano-2-(4-hydroxy-3-methoxyphenyl)eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile
IUPAC name
5-amino-3-[(1Z)-1-cyano-2-(4-hydroxy-3-methoxyphenyl)eth-1-en-1-yl]-1H-pyrazole-4-carbonitrile
SMILES
COc(cc(/C=C(/c1n[nH]c(N)c1C#N)\C#N)cc1)c1O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
281.27
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
4.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.928
Distribution Coefficient, logD
0.923
Water Solubility, LogSw
-1.86
Polar Surface Area
102.486
Acid Dissociation Constant (pKa)
9.35
Base Dissociation Constant (pKb)
-3.13
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
7.10
2237-1659 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
CNS Annotated Library (688 compounds)
Human Kinases Annotated Library (2415 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 2237-1659 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)