D395-0245 Screening compound: N-[4-ethyl-2-(4-{[(3-nitrophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]propanamide
Chemical Structure Depiction of ChemDiv screening compound D395-0245
N-[4-ethyl-2-(4-{[(3-nitrophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]propanamide
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
D395-0245
Molecular Formula
C27H25N5O5 (C27 H25 N5 O5)
Compound Name
N-[4-ethyl-2-(4-{[(3-nitrophenyl)carbamoyl]methyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]propanamide
IUPAC name
N-[4-ethyl-2-(4-{[(3-nitrophenyl)carbamoyl]methyl}-3-oxo-34-dihydroquinoxalin-2-yl)phenyl]propanamide
SMILES
CCC(Nc(ccc(CC)c1)c1C1=Nc(cccc2)c2N(CC(Nc2cccc([N+]([O-])=O)c2)=O)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
499.53
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
3.953
Distribution Coefficient, logD
3.952
Water Solubility, LogSw
-3.98
Polar Surface Area
102.161
Acid Dissociation Constant (pKa)
10.16
Base Dissociation Constant (pKb)
-1.23
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.50
D395-0245 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with D395-0245 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)