D491-9585 Screening compound: N-(1-benzyl-1H-pyrazol-5-yl)-3-chlorobenzamide
Chemical Structure Depiction of ChemDiv screening compound D491-9585
N-(1-benzyl-1H-pyrazol-5-yl)-3-chlorobenzamide
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
D491-9585
Molecular Formula
C17H14ClN3O (C17 H14 ClN3 O)
Compound Name
N-(1-benzyl-1H-pyrazol-5-yl)-3-chlorobenzamide
IUPAC name
N-(1-benzyl-1H-pyrazol-5-yl)-3-chlorobenzamide
SMILES
O=C(c1cccc(Cl)c1)Nc1ccnn1Cc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
311.77
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.669
Distribution Coefficient, logD
3.668
Water Solubility, LogSw
-4.16
Polar Surface Area
37.763
Acid Dissociation Constant (pKa)
9.77
Base Dissociation Constant (pKb)
-2.97
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.90
D491-9585 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 D491-9585 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)