8004-0368 Screening compound: N~1~-benzyl-2-cyanoacetamide
Chemical Structure Depiction of ChemDiv screening compound 8004-0368
N~1~-benzyl-2-cyanoacetamide
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
8004-0368
Molecular Formula
C10H10N2O (C10 H10 N2 O)
Compound Name
N~1~-benzyl-2-cyanoacetamide
IUPAC name
N-benzyl-2-cyanoacetamide
SMILES
N#CCC(NCc1ccccc1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
174.2
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
0.787
Distribution Coefficient, logD
0.736
Water Solubility, LogSw
-1.57
Polar Surface Area
42.202
Acid Dissociation Constant (pKa)
8.30
Base Dissociation Constant (pKb)
-4.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
8004-0368 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8004-0368 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)