5556-0488 Screening compound: 3-phenyl-1-(9H-xanthene-9-carbonyl)pyrrolidine

5556-0488 Screening compound: 3-phenyl-1-(9H-xanthene-9-carbonyl)pyrrolidine
5556-0488 Screening compound: 3-phenyl-1-(9H-xanthene-9-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0488
3-phenyl-1-(9H-xanthene-9-carbonyl)pyrrolidine

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

5556-0488

Molecular Formula

C24H21NO2 (C24 H21 NO2)

Compound Name

3-phenyl-1-(9H-xanthene-9-carbonyl)pyrrolidine

IUPAC name

3-phenyl-1-(9H-xanthene-9-carbonyl)pyrrolidine

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)N(CC1)CC1c1ccccc1

InChI

InChI=1S/C24H21NO2/c26-24(25-15-14-18(16-25)17-8-2-1-3-9-17)23-19-10-4-6-12-21(19)27-22-13-7-5-11-20(22)23/h1-13,18,23H,14-16H2/t18-/m1/s1

InChI Key

FQIMGAFPOKQNDF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03682217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

-0.948

Water Solubility, LogSw

-4.92

Polar Surface Area

23.728

Acid Dissociation Constant (pKa)

1.63

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

5556-0488 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5556-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0488?
Check Price and Availability of 5556-0488, 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 5556-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0488
  • 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 5556-0488 available by request