8020-0393 Screening compound: (2E)-3-[(4-phenyl-1H-pyrazol-5-yl)carbamoyl]prop-2-enoic acid
Chemical Structure Depiction of ChemDiv screening compound 8020-0393
(2E)-3-[(4-phenyl-1H-pyrazol-5-yl)carbamoyl]prop-2-enoic acid
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
8020-0393
Molecular Formula
C13H11N3O3 (C13 H11 N3 O3)
Compound Name
(2E)-3-[(4-phenyl-1H-pyrazol-5-yl)carbamoyl]prop-2-enoic acid
IUPAC name
(2E)-3-[(4-phenyl-1H-pyrazol-5-yl)carbamoyl]prop-2-enoic acid
SMILES
OC(/C=C/C(Nc([nH]nc1)c1-c1ccccc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
257.25
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.580
Distribution Coefficient, logD
-2.878
Water Solubility, LogSw
-2.14
Polar Surface Area
75.831
Acid Dissociation Constant (pKa)
2.94
Base Dissociation Constant (pKb)
-2.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
8020-0393 in Drug Discovery
Included in Screening Libraries
Chelators targeting matrix metalloproteinases library (8930 compounds)
KRAS-Targeted Library (16000 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Proteases
- Kinases
References: we are preparing a list of scientific research reports with 8020-0393 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)