G817-0644 Screening compound: ethyl 3-[1-(piperidin-1-yl)isoquinoline-4-amido]benzoate

G817-0644 Screening compound: ethyl 3-[1-(piperidin-1-yl)isoquinoline-4-amido]benzoate
G817-0644 Screening compound: ethyl 3-[1-(piperidin-1-yl)isoquinoline-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0644
ethyl 3-[1-(piperidin-1-yl)isoquinoline-4-amido]benzoate

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

G817-0644

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

ethyl 3-[1-(piperidin-1-yl)isoquinoline-4-amido]benzoate

IUPAC name

ethyl 3-[1-(piperidin-1-yl)isoquinoline-4-amido]benzoate

SMILES

CCOC(c1cc(NC(c(c2ccccc22)cnc2N2CCCCC2)=O)ccc1)=O

InChI

InChI=1S/C24H25N3O3/c1-2-30-24(29)17-9-8-10-18(15-17)26-23(28)21-16-25-22(27-13-6-3-7-14-27)20-12-5-4-11-19(20)21/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3,(H,26,28)

InChI Key

NVOPPQNBVUHFQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-5.50

Polar Surface Area

56.335

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

G817-0644 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G817-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0644?
Check Price and Availability of G817-0644, 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 G817-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0644
  • 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 G817-0644 available by request