V002-9517 Screening compound: N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V002-9517
N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
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
V002-9517
Molecular Formula
C28H28ClN3O4S (C28 H28 ClN3 O4 S)
Compound Name
N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
IUPAC name
N-{[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-[(oxolan-2-yl)methyl]thiophene-2-carboxamide
SMILES
Cc(c(CN(CC1OCCC1)C(c1cccs1)=O)c1Oc(cccc2)c2OC)nn1-c(cc1)ccc1Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
538.07
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
5.513
Distribution Coefficient, logD
5.513
Water Solubility, LogSw
-5.91
Polar Surface Area
54.249
Acid Dissociation Constant (pKa)
24.82
Base Dissociation Constant (pKb)
-1.80
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
28.60
References: we are preparing a list of scientific research reports with V002-9517 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)