G668-0653 Screening compound: 6-methoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0653 Screening compound: 6-methoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0653 Screening compound: 6-methoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0653
6-methoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]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

G668-0653

Molecular Formula

C24H28F3N3O3 (C24 H28 F3 N3 O3)

Compound Name

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

IUPAC name

6-methoxy-N-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-34-dihydro-2H-1-benzopyran-3-carboxamide

SMILES

COc(cc1)cc(C2)c1OCC2C(NCCN(CC1)CCN1c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C24H28F3N3O3/c1-32-21-5-6-22-17(14-21)13-18(16-33-22)23(31)28-7-8-29-9-11-30(12-10-29)20-4-2-3-19(15-20)24(25,26)27/h2-6,14-15,18H,7-13,16H2,1H3,(H,28,31)/t18-/m0/s1

InChI Key

WDTJDGJWWRSVMF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15027844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-3.97

Polar Surface Area

47.650

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

G668-0653 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with G668-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0653?
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What is the minimum amount of G668-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0653
  • 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 G668-0653 available by request