D218-0047 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-(pentyloxy)benzamide

D218-0047 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-(pentyloxy)benzamide
D218-0047 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-(pentyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D218-0047
N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-(pentyloxy)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

D218-0047

Molecular Formula

C25H34N2O3 (C25 H34 N2 O3)

Compound Name

N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-(pentyloxy)benzamide

IUPAC name

N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-(pentyloxy)benzamide

SMILES

CCCCCOc(cc1)ccc1C(NCC(c(cc1)ccc1OC)N1CCCC1)=O

InChI

InChI=1S/C25H34N2O3/c1-3-4-7-18-30-23-14-10-21(11-15-23)25(28)26-19-24(27-16-5-6-17-27)20-8-12-22(29-2)13-9-20/h8-15,24H,3-7,16-19H2,1-2H3,(H,26,28)/t24-/m0/s1

InChI Key

AWIVTJZFLOICCY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD12917953

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.45

Polar Surface Area

42.969

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

D218-0047 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 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 D218-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D218-0047?
Check Price and Availability of D218-0047, 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 D218-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D218-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D218-0047
  • 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 D218-0047 available by request