1491-0946 Screening compound: 5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of ChemDiv screening compound 1491-0946
5-(benzylamino)-2-(4-nitrophenyl)-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
1491-0946
Molecular Formula
C17H12N4O3 (C17 H12 N4 O3)
Compound Name
5-(benzylamino)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
IUPAC name
5-(benzylamino)-2-(4-nitrophenyl)-13-oxazole-4-carbonitrile
SMILES
N#Cc1c(NCc2ccccc2)oc(-c(cc2)ccc2[N+]([O-])=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
320.31
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.278
Distribution Coefficient, logD
3.278
Water Solubility, LogSw
-3.49
Polar Surface Area
79.659
Acid Dissociation Constant (pKa)
15.33
Base Dissociation Constant (pKb)
-5.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.90
1491-0946 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 1491-0946 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)