V002-6769 Screening compound: N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]BENZAMIDE
Chemical Structure Depiction of ChemDiv screening compound V002-6769
N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]BENZAMIDE
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
V002-6769
Molecular Formula
C22H20ClN5O2 (C22 H20 ClN5 O2)
Compound Name
N-(3-CHLOROPHENETHYL)-3-[5-METHYL-3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-1H-PYRAZOL-1-YL]BENZAMIDE
IUPAC name
N-[2-(3-chlorophenyl)ethyl]-3-[5-methyl-3-(5-methyl-134-oxadiazol-2-yl)-1H-pyrazol-1-yl]benzamide
SMILES
Cc1cc(-c2nnc(C)o2)nn1-c1cccc(C(NCCc2cccc(Cl)c2)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
421.89
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.173
Distribution Coefficient, logD
3.173
Water Solubility, LogSw
-3.63
Polar Surface Area
68.302
Acid Dissociation Constant (pKa)
13.12
Base Dissociation Constant (pKb)
-0.46
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.18
V002-6769 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 V002-6769 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)