3888-1002 Screening compound: 3-(4-fluorophenyl)-2-(2-methylphenyl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

3888-1002 Screening compound: 3-(4-fluorophenyl)-2-(2-methylphenyl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
3888-1002 Screening compound: 3-(4-fluorophenyl)-2-(2-methylphenyl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-1002
3-(4-fluorophenyl)-2-(2-methylphenyl)-5-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

3888-1002

Molecular Formula

C24H19FN2O3 (C24 H19 FN2 O3)

Compound Name

3-(4-fluorophenyl)-2-(2-methylphenyl)-5-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

IUPAC name

3-(4-fluorophenyl)-2-(2-methylphenyl)-5-phenyl-hexahydro-2H-pyrrolo[34-d][12]oxazole-46-dione

SMILES

Cc(cccc1)c1N(C(C1C(N2c3ccccc3)=O)c(cc3)ccc3F)OC1C2=O

InChI

InChI=1S/C24H19FN2O3/c1-15-7-5-6-10-19(15)27-21(16-11-13-17(25)14-12-16)20-22(30-27)24(29)26(23(20)28)18-8-3-2-4-9-18/h2-14,20-22H,1H3

InChI Key

CYSKHBCHNLYEME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01909788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.79

Polar Surface Area

43.333

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.70

3888-1002 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3888-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-1002?
Check Price and Availability of 3888-1002, 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 3888-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-1002
  • 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 3888-1002 available by request