G668-0288 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0288 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0288 Screening compound: N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0288
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-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

G668-0288

Molecular Formula

C24H31N3O2 (C24 H31 N3 O2)

Compound Name

N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide

IUPAC name

N-{2-[4-(23-dimethylphenyl)piperazin-1-yl]ethyl}-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

Cc1cccc(N2CCN(CCNC(C(C3)COc4c3cccc4)=O)CC2)c1C

InChI

InChI=1S/C24H31N3O2/c1-18-6-5-8-22(19(18)2)27-14-12-26(13-15-27)11-10-25-24(28)21-16-20-7-3-4-9-23(20)29-17-21/h3-9,21H,10-17H2,1-2H3,(H,25,28)/t21-/m0/s1

InChI Key

WMYQLWSEXZIOBZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15027674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-4.07

Polar Surface Area

39.805

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

G668-0288 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G668-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0288?
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What is the minimum amount of G668-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0288
  • 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 G668-0288 available by request