D434-0755 Screening compound: 5-(dimethylamino)-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of ChemDiv screening compound D434-0755
5-(dimethylamino)-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-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
D434-0755
Molecular Formula
C16H18N4O3S (C16 H18 N4 O3 S)
Compound Name
5-(dimethylamino)-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
IUPAC name
5-(dimethylamino)-2-[4-(pyrrolidine-1-sulfonyl)phenyl]-13-oxazole-4-carbonitrile
SMILES
CN(C)c1c(C#N)nc(-c(cc2)ccc2S(N2CCCC2)(=O)=O)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
346.41
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.985
Distribution Coefficient, logD
1.985
Water Solubility, LogSw
-2.54
Polar Surface Area
71.184
Acid Dissociation Constant (pKa)
27.94
Base Dissociation Constant (pKb)
-3.65
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.50
D434-0755 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Targeted Diversity Library (40567 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Agro
- Kinases
- Epigenetic
References: we are preparing a list of scientific research reports with D434-0755 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)