3888-0408 Screening compound: 3-[4-(difluoromethoxy)phenyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

3888-0408 Screening compound: 3-[4-(difluoromethoxy)phenyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
3888-0408 Screening compound: 3-[4-(difluoromethoxy)phenyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-0408
3-[4-(difluoromethoxy)phenyl]-2-phenyl-5-[2-(trifluoromethyl)phenyl]-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

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

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

InChI Key

RVRWYUMQGDPBPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02074202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.59

Polar Surface Area

49.938

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.00

3888-0408 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3888-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-0408?
Check Price and Availability of 3888-0408, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3888-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-0408
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3888-0408 available by request