F620-0069 Screening compound: 3-{[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of ChemDiv screening compound F620-0069
3-{[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-benzoxazol-2(3H)-one
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
F620-0069
Molecular Formula
C17H11N3O5 (C17 H11 N3 O5)
Compound Name
3-{[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-benzoxazol-2(3H)-one
IUPAC name
3-{[5-(2H-13-benzodioxol-5-yl)-124-oxadiazol-3-yl]methyl}-23-dihydro-13-benzoxazol-2-one
SMILES
O=C1Oc(cccc2)c2N1Cc1noc(-c(cc2)cc3c2OCO3)n1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
337.29
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.951
Distribution Coefficient, logD
2.951
Water Solubility, LogSw
-3.38
Polar Surface Area
72.850
Acid Dissociation Constant (pKa)
31.49
Base Dissociation Constant (pKb)
-5.48
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.76
F620-0069 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Targeted Diversity Library (40567 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with F620-0069 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)