A0070266 Screening compound: N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Chemical Structure Depiction of ChemDiv screening compound A0070266
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
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
A0070266
Molecular Formula
C31H31FN6O5S (C31 H31 FN6 O5 S)
Compound Name
N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
IUPAC name
N-{[5-({2-[5-(23-dimethoxyphenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-124-triazol-3-yl]methyl}-2-fluorobenzamide
SMILES
Cn1c(SCC(N(C(C2)c(cccc3OC)c3OC)N=C2c(cc2)ccc2OC)=O)nnc1CNC(c(cccc1)c1F)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
618.69
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
4.227
Distribution Coefficient, logD
4.227
Water Solubility, LogSw
-4.40
Polar Surface Area
100.223
Acid Dissociation Constant (pKa)
11.59
Base Dissociation Constant (pKb)
1.14
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
25.80
References: we are preparing a list of scientific research reports with A0070266 chemical compound. It will be published here after verification.
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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)