5310-0091 Screening compound: 3-(4-fluorophenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

5310-0091 Screening compound: 3-(4-fluorophenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
5310-0091 Screening compound: 3-(4-fluorophenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5310-0091
3-(4-fluorophenyl)-2-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

5310-0091

Molecular Formula

C17H13FN2O3 (C17 H13 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1C(c(cc2)ccc2F)N(c2ccccc2)OC11)NC1=O

InChI

InChI=1S/C17H13FN2O3/c18-11-8-6-10(7-9-11)14-13-15(17(22)19-16(13)21)23-20(14)12-4-2-1-3-5-12/h1-9,13-15H,(H,19,21,22)

InChI Key

JUKBZYJIJXCWLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02966179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.704

Water Solubility, LogSw

-2.37

Polar Surface Area

53.758

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

17.60

5310-0091 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Soluble Diversity Library (15920 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 5310-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5310-0091?
Check Price and Availability of 5310-0091, 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 5310-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5310-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5310-0091
  • 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 5310-0091 available by request