Y600-0285 Screening compound: 4-{(E)-1-[(2-{4-[2-(3,4-dimethoxyphenyl)acetyl]piperazino}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of ChemDiv screening compound Y600-0285
4-{(E)-1-[(2-{4-[2-(3,4-dimethoxyphenyl)acetyl]piperazino}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
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
Y600-0285
Molecular Formula
C27H32N6O6 (C27 H32 N6 O6)
Compound Name
4-{(E)-1-[(2-{4-[2-(3,4-dimethoxyphenyl)acetyl]piperazino}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
IUPAC name
(4E)-4-{[(2-{4-[2-(34-dimethoxyphenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-3-methyl-1-(4-nitrophenyl)-45-dihydro-1H-pyrazol-5-one
SMILES
CC(/C(/C1=O)=C\NCCN(CC2)CCN2C(Cc(cc2)cc(OC)c2OC)=O)=NN1c(cc1)ccc1[N+]([O-])=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
536.59
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
1.228
Distribution Coefficient, logD
1.145
Water Solubility, LogSw
-2.39
Polar Surface Area
107.114
Acid Dissociation Constant (pKa)
13.29
Base Dissociation Constant (pKb)
6.72
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
37.04
Y600-0285 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with Y600-0285 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)