5218-3380 Screening compound: 4-butoxy-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}benzamide

5218-3380 Screening compound: 4-butoxy-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}benzamide
5218-3380 Screening compound: 4-butoxy-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-3380
4-butoxy-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}benzamide

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

5218-3380

Molecular Formula

C24H31NO4 (C24 H31 NO4)

Compound Name

4-butoxy-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}benzamide

IUPAC name

4-butoxy-N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}benzamide

SMILES

CCCCOc(cc1)ccc1C(NCC1(CCOCC1)c(cc1)ccc1OC)=O

InChI

InChI=1S/C24H31NO4/c1-3-4-15-29-22-9-5-19(6-10-22)23(26)25-18-24(13-16-28-17-14-24)20-7-11-21(27-2)12-8-20/h5-12H,3-4,13-18H2,1-2H3,(H,25,26)

InChI Key

QPHGJHRJKKTTMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.021

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-4.50

Polar Surface Area

47.442

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

5218-3380 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5218-3380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-3380?
Check Price and Availability of 5218-3380, 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 5218-3380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-3380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-3380
  • 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 5218-3380 available by request