6228-2140 Screening compound: 3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[(pyridin-4-yl)methyl]benzamide

6228-2140 Screening compound: 3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[(pyridin-4-yl)methyl]benzamide
6228-2140 Screening compound: 3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[(pyridin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2140
3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[(pyridin-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

6228-2140

Molecular Formula

C23H22N2O2 (C23 H22 N2 O2)

Compound Name

3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-[(pyridin-4-yl)methyl]benzamide

IUPAC name

3-[(23-dihydro-1H-inden-5-yloxy)methyl]-N-[(pyridin-4-yl)methyl]benzamide

SMILES

O=C(c1cc(COc2cc(CCC3)c3cc2)ccc1)NCc1ccncc1

InChI

InChI=1S/C23H22N2O2/c26-23(25-15-17-9-11-24-12-10-17)21-6-1-3-18(13-21)16-27-22-8-7-19-4-2-5-20(19)14-22/h1,3,6-14H,2,4-5,15-16H2,(H,25,26)

InChI Key

FLMJXWWIULZNFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.668

Water Solubility, LogSw

-3.87

Polar Surface Area

41.594

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

6228-2140 in Drug Discovery

Included in Screening Libraries

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 6228-2140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2140?
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What is the minimum amount of 6228-2140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2140
  • 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 6228-2140 available by request