Screening compound: InChI=1S/C25H17F5N2O4/c26-24(27)35-16-12-10-14(11-13-16)20-19-21(36-32(20)15-6-2-1-3-7-15)23(34)31(22(19)33)18-9-5-4-8-17(18)25(28,29)30/h1-13,19-21,24H
Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C25H17F5N2O4/c26-24(27)35-16-12-10-14(11-13-16)20-19-21(36-32(20)15-6-2-1-3-7-15)23(34)31(22(19)33)18-9-5-4-8-17(18)25(28,29)30/h1-13,19-21,24H
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
3888-0408
Molecular Formula
C25H17F5N2O4 (C25 H17 F5 N2 O4)
Compound Name
3-[4-(difluoromethoxy)phenyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
IUPAC name
3-[4-(difluoromethoxy)phenyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione
SMILES
O=C(C1C(c(cc2)ccc2OC(F)F)N(c2ccccc2)OC1C1=O)N1c1c(C(F)(F)F)cccc1
InChI Key
MDL Number (MFCD)
InChI=1S/C25H17F5N2O4/c26-24(27)35-16-12-10-14(11-13-16)20-19-21(36-32(20)15-6-2-1-3-7-15)23(34)31(22(19)33)18-9-5-4-8-17(18)25(28,29)30/h1-13,19-21,24H in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with InChI=1S/C25H17F5N2O4/c26-24(27)35-16-12-10-14(11-13-16)20-19-21(36-32(20)15-6-2-1-3-7-15)23(34)31(22(19)33)18-9-5-4-8-17(18)25(28,29)30/h1-13,19-21,24H 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)