G817-0579 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(piperidin-1-yl)isoquinoline

G817-0579 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(piperidin-1-yl)isoquinoline
G817-0579 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(piperidin-1-yl)isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0579
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(piperidin-1-yl)isoquinoline

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

G817-0579

Molecular Formula

C27H30N4O3 (C27 H30 N4 O3)

Compound Name

4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(piperidin-1-yl)isoquinoline

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1-(piperidin-1-yl)isoquinoline

SMILES

O=C(c(c1ccccc11)cnc1N1CCCCC1)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C27H30N4O3/c32-27(23-17-28-26(30-10-4-1-5-11-30)22-7-3-2-6-21(22)23)31-14-12-29(13-15-31)18-20-8-9-24-25(16-20)34-19-33-24/h2-3,6-9,16-17H,1,4-5,10-15,18-19H2

InChI Key

PJQDVHZTRBNDSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

3.947

Water Solubility, LogSw

-3.99

Polar Surface Area

49.794

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

G817-0579 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G817-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0579?
Check Price and Availability of G817-0579, 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 G817-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0579
  • 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 G817-0579 available by request