D218-0126 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

D218-0126 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
D218-0126 Screening compound: N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D218-0126
N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

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

D218-0126

Molecular Formula

C25H30N2O3 (C25 H30 N2 O3)

Compound Name

N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

IUPAC name

N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-346-trimethyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c(cc2)ccc2OC)N2CCCC2)=O)oc2c1c(C)cc(C)c2

InChI

InChI=1S/C25H30N2O3/c1-16-13-17(2)23-18(3)24(30-22(23)14-16)25(28)26-15-21(27-11-5-6-12-27)19-7-9-20(29-4)10-8-19/h7-10,13-14,21H,5-6,11-12,15H2,1-4H3,(H,26,28)/t21-/m0/s1

InChI Key

WAXCKFHMNRXLIS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD12920345

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

406.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.81

Polar Surface Area

44.077

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D218-0126 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D218-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D218-0126?
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What is the minimum amount of D218-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D218-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D218-0126
  • 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 D218-0126 available by request