V017-1845 Screening compound: (2E)-N-BENZYL-3-PHENYL-N-[3-({[(PYRIDIN-4-YL)METHYL]CARBAMOYL}METHYL)PHENYL]PROP-2-ENAMIDE
Chemical Structure Depiction of ChemDiv screening compound V017-1845
(2E)-N-BENZYL-3-PHENYL-N-[3-({[(PYRIDIN-4-YL)METHYL]CARBAMOYL}METHYL)PHENYL]PROP-2-ENAMIDE
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
V017-1845
Molecular Formula
C30H27N3O2 (C30 H27 N3 O2)
Compound Name
(2E)-N-BENZYL-3-PHENYL-N-[3-({[(PYRIDIN-4-YL)METHYL]CARBAMOYL}METHYL)PHENYL]PROP-2-ENAMIDE
IUPAC name
n/a
SMILES
O=C(Cc1cccc(N(Cc2ccccc2)C(/C=C/c2ccccc2)=O)c1)NCc1ccncc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
461.56
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.349
Distribution Coefficient, logD
4.346
Water Solubility, LogSw
-4.48
Polar Surface Area
48.690
Acid Dissociation Constant (pKa)
13.02
Base Dissociation Constant (pKb)
5.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.00
V017-1845 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 V017-1845 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)