F897-0088 Screening compound: 1-[(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-ethoxybenzoyl)piperazine
Chemical Structure Depiction of ChemDiv screening compound F897-0088
1-[(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-ethoxybenzoyl)piperazine
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
F897-0088
Molecular Formula
C25H30N4O4S (C25 H30 N4 O4 S)
Compound Name
1-[(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-ethoxybenzoyl)piperazine
IUPAC name
1-[(1-benzyl-35-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-ethoxybenzoyl)piperazine
SMILES
CCOc(cccc1)c1C(N(CC1)CCN1S(c1c(C)n(Cc2ccccc2)nc1C)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
482.6
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.324
Distribution Coefficient, logD
2.324
Water Solubility, LogSw
-2.90
Polar Surface Area
69.898
Acid Dissociation Constant (pKa)
26.88
Base Dissociation Constant (pKb)
-2.71
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
36.00
References: we are preparing a list of scientific research reports with F897-0088 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)