6228-1724 Screening compound: 1-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)pyrrolidine

6228-1724 Screening compound: 1-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)pyrrolidine
6228-1724 Screening compound: 1-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1724
1-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-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

6228-1724

Molecular Formula

C19H23NO3 (C19 H23 NO3)

Compound Name

1-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)pyrrolidine

IUPAC name

1-(5-{[4-(propan-2-yl)phenoxy]methyl}furan-2-carbonyl)pyrrolidine

SMILES

CC(C)c(cc1)ccc1OCc1ccc(C(N2CCCC2)=O)o1

InChI

InChI=1S/C19H23NO3/c1-14(2)15-5-7-16(8-6-15)22-13-17-9-10-18(23-17)19(21)20-11-3-4-12-20/h5-10,14H,3-4,11-13H2,1-2H3

InChI Key

GBCUMXYFUFSAKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02054883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.414

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.17

Polar Surface Area

32.322

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

6228-1724 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6228-1724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1724?
Check Price and Availability of 6228-1724, 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 6228-1724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1724
  • 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 6228-1724 available by request