G668-0579 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

G668-0579 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
G668-0579 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G668-0579
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6-methoxy-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

G668-0579

Molecular Formula

C24H30ClN3O3 (C24 H30 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(C2)c1OCC2C(NCCCN(CC1)CCN1c1cccc(Cl)c1)=O

InChI

InChI=1S/C24H30ClN3O3/c1-30-22-6-7-23-18(15-22)14-19(17-31-23)24(29)26-8-3-9-27-10-12-28(13-11-27)21-5-2-4-20(25)16-21/h2,4-7,15-16,19H,3,8-14,17H2,1H3,(H,26,29)/t19-/m0/s1

InChI Key

IZOKRHYYIHQVRZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15027799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.97

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

3.638

Distribution Coefficient, logD

3.052

Water Solubility, LogSw

-3.93

Polar Surface Area

47.650

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

G668-0579 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with G668-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G668-0579?
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What is the minimum amount of G668-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G668-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G668-0579
  • 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 G668-0579 available by request