0200-5205 Screening compound: 3-pyridyl benzoate
Chemical Structure Depiction of ChemDiv screening compound 0200-5205
3-pyridyl benzoate
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
0200-5205
Molecular Formula
C12H9NO2 (C12 H9 NO2)
Compound Name
3-pyridyl benzoate
IUPAC name
pyridin-3-yl benzoate
SMILES
O=C(c1ccccc1)Oc1cnccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
199.21
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
1.923
Distribution Coefficient, logD
1.923
Water Solubility, LogSw
-1.59
Polar Surface Area
30.134
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
2.42
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
0200-5205 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 0200-5205 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)