CM2191-6231 Screening compound: 1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-phenoxyethyl)pyrrolidine

CM2191-6231 Screening compound: 1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-phenoxyethyl)pyrrolidine
CM2191-6231 Screening compound: 1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-phenoxyethyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2191-6231
1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-phenoxyethyl)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

CM2191-6231

Molecular Formula

C21H25NO2 (C21 H25 NO2)

Compound Name

1-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-(2-phenoxyethyl)pyrrolidine

IUPAC name

1-[(23-dihydro-1-benzofuran-5-yl)methyl]-3-(2-phenoxyethyl)pyrrolidine

SMILES

C(COc1ccccc1)C1CN(Cc(cc2)cc3c2OCC3)CC1

InChI

InChI=1S/C21H25NO2/c1-2-4-20(5-3-1)23-12-9-17-8-11-22(15-17)16-18-6-7-21-19(14-18)10-13-24-21/h1-7,14,17H,8-13,15-16H2/t17-/m0/s1

InChI Key

IZIKFXYFLCSDOV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30458489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

0.887

Water Solubility, LogSw

-4.34

Polar Surface Area

19.654

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

CM2191-6231 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 CM2191-6231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2191-6231?
Check Price and Availability of CM2191-6231, 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 CM2191-6231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2191-6231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2191-6231
  • 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 CM2191-6231 available by request