G822-0459 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxyfuro[2,3-b]quinoline-2-carbonyl}piperazine

G822-0459 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxyfuro[2,3-b]quinoline-2-carbonyl}piperazine
G822-0459 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxyfuro[2,3-b]quinoline-2-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G822-0459
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxyfuro[2,3-b]quinoline-2-carbonyl}piperazine

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

G822-0459

Molecular Formula

C25H23N3O5 (C25 H23 N3 O5)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-methoxyfuro[2,3-b]quinoline-2-carbonyl}piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-{6-methoxyfuro[23-b]quinoline-2-carbonyl}piperazine

SMILES

COc1ccc2nc3oc(C(N4CCN(Cc(cc5)cc6c5OCO6)CC4)=O)cc3cc2c1

InChI

InChI=1S/C25H23N3O5/c1-30-19-3-4-20-17(12-19)11-18-13-23(33-24(18)26-20)25(29)28-8-6-27(7-9-28)14-16-2-5-21-22(10-16)32-15-31-21/h2-5,10-13H,6-9,14-15H2,1H3

InChI Key

SPJIJDCYSBKICD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-4.29

Polar Surface Area

61.883

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G822-0459 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G822-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G822-0459?
Check Price and Availability of G822-0459, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G822-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G822-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G822-0459
  • 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 G822-0459 available by request