Y041-7287 Screening compound: 4-[2-(propan-2-yl)-2H-1,2,3,4-tetrazol-5-yl]-N-[2-(pyridin-2-yl)ethyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound Y041-7287
4-[2-(propan-2-yl)-2H-1,2,3,4-tetrazol-5-yl]-N-[2-(pyridin-2-yl)ethyl]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
Y041-7287
Molecular Formula
C18H20N6O (C18 H20 N6 O)
Compound Name
4-[2-(propan-2-yl)-2H-1,2,3,4-tetrazol-5-yl]-N-[2-(pyridin-2-yl)ethyl]benzamide
IUPAC name
4-[2-(propan-2-yl)-2H-1234-tetrazol-5-yl]-N-[2-(pyridin-2-yl)ethyl]benzamide
SMILES
CC(C)n1nnc(-c(cc2)ccc2C(NCCc2ncccc2)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
336.4
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
1.835
Distribution Coefficient, logD
1.835
Water Solubility, LogSw
-2.08
Polar Surface Area
72.272
Acid Dissociation Constant (pKa)
13.29
Base Dissociation Constant (pKb)
4.06
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.78
Y041-7287 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 Y041-7287 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)