Screening compound: InChI=1S/C26H19F3N2O4/c1-34-19-11-9-16(10-12-19)14-31-24(32)23-22(20-7-2-3-8-21(20)35-23)30(25(31)33)15-17-5-4-6-18(13-17)26(27,28)29/h2-13H,14-15H2,1H3
Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C26H19F3N2O4/c1-34-19-11-9-16(10-12-19)14-31-24(32)23-22(20-7-2-3-8-21(20)35-23)30(25(31)33)15-17-5-4-6-18(13-17)26(27,28)29/h2-13H,14-15H2,1H3
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
E545-0732
Molecular Formula
C26H19F3N2O4 (C26 H19 F3 N2 O4)
Compound Name
3-(4-methoxybenzyl)-1-[3-(trifluoromethyl)benzyl][1]benzofuro[3,2-d]pyrimidine-2,4(1H,3H)-dione
IUPAC name
5-[(4-methoxyphenyl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraene-46-dione
SMILES
COc1ccc(CN(C(c(oc2c3cccc2)c3N2Cc3cccc(C(F)(F)F)c3)=O)C2=O)cc1
InChI Key
MDL Number (MFCD)
InChI=1S/C26H19F3N2O4/c1-34-19-11-9-16(10-12-19)14-31-24(32)23-22(20-7-2-3-8-21(20)35-23)30(25(31)33)15-17-5-4-6-18(13-17)26(27,28)29/h2-13H,14-15H2,1H3 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Human Proteases Annotated Library (2868 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with InChI=1S/C26H19F3N2O4/c1-34-19-11-9-16(10-12-19)14-31-24(32)23-22(20-7-2-3-8-21(20)35-23)30(25(31)33)15-17-5-4-6-18(13-17)26(27,28)29/h2-13H,14-15H2,1H3 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)