Y502-6622 Screening compound: N~3~-(5-{[(1,5-dimethyl-1H-pyrazol-4-yl)amino]carbonyl}-1-methyl-1H-pyrazol-4-yl)-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound Y502-6622
N~3~-(5-{[(1,5-dimethyl-1H-pyrazol-4-yl)amino]carbonyl}-1-methyl-1H-pyrazol-4-yl)-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
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
Y502-6622
Molecular Formula
C20H27N9O4S (C20 H27 N9 O4 S)
Compound Name
N~3~-(5-{[(1,5-dimethyl-1H-pyrazol-4-yl)amino]carbonyl}-1-methyl-1H-pyrazol-4-yl)-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
IUPAC name
N-{5-[(15-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILES
Cc(n(C)nc1)c1NC(c(n(C)nc1)c1NC(C(CCC1)CN1S(c1cn(C)nc1)(=O)=O)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
489.56
Hydrogen Bond Acceptors Count
12.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
13
Partition Coefficient, logP
-1.507
Distribution Coefficient, logD
-1.696
Water Solubility, LogSw
-1.78
Polar Surface Area
119.481
Acid Dissociation Constant (pKa)
7.66
Base Dissociation Constant (pKb)
-1.04
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
45.00
Y502-6622 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
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 Y502-6622 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)