D151-0851 Screening compound: 5-[(2-methylpropyl)amino]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of ChemDiv screening compound D151-0851
5-[(2-methylpropyl)amino]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-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
D151-0851
Molecular Formula
C14H15N3OS (C14 H15 N3 OS)
Compound Name
5-[(2-methylpropyl)amino]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
IUPAC name
5-[(2-methylpropyl)amino]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-13-oxazole-4-carbonitrile
SMILES
CC(C)CNc1c(C#N)nc(/C=C/c2cccs2)o1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
273.36
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.323
Distribution Coefficient, logD
3.323
Water Solubility, LogSw
-3.57
Polar Surface Area
47.233
Acid Dissociation Constant (pKa)
16.30
Base Dissociation Constant (pKb)
-4.28
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
D151-0851 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
References: we are preparing a list of scientific research reports with D151-0851 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)