Y600-2033 Screening compound: dimethyl 1-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate
Chemical Structure Depiction of ChemDiv screening compound Y600-2033
dimethyl 1-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate
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
Y600-2033
Molecular Formula
C20H18N4O7S (C20 H18 N4 O7 S)
Compound Name
dimethyl 1-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-4-oxo-1,4-dihydro-3,5-pyridinedicarboxylate
IUPAC name
35-dimethyl 1-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-oxo-14-dihydropyridine-35-dicarboxylate
SMILES
Cc1ccnc(NS(c(cc2)ccc2N(C=C2C(OC)=O)C=C(C(OC)=O)C2=O)(=O)=O)n1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
458.45
Hydrogen Bond Acceptors Count
14.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
0.582
Distribution Coefficient, logD
-0.030
Water Solubility, LogSw
-2.63
Polar Surface Area
119.008
Acid Dissociation Constant (pKa)
6.91
Base Dissociation Constant (pKb)
-1.03
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.00
Y600-2033 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 Y600-2033 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)