G668-0269 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0269 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0269 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0269
N-{2-[4-(2-fluorophenyl)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

G668-0269

Molecular Formula

C22H26FN3O2 (C22 H26 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C1)COc2c1cccc2)NCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C22H26FN3O2/c23-19-6-2-3-7-20(19)26-13-11-25(12-14-26)10-9-24-22(27)18-15-17-5-1-4-8-21(17)28-16-18/h1-8,18H,9-16H2,(H,24,27)/t18-/m0/s1

InChI Key

IQJMQGVUTQNZIA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15027662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

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

3.129

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.20

Polar Surface Area

39.805

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

G668-0269 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G668-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0269?
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What is the minimum amount of G668-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0269
  • 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 G668-0269 available by request