G817-1596 Screening compound: 4-propoxyphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

G817-1596 Screening compound: 4-propoxyphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
G817-1596 Screening compound: 4-propoxyphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-1596
4-propoxyphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

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

G817-1596

Molecular Formula

C23H25NO4 (C23 H25 NO4)

Compound Name

4-propoxyphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

4-propoxyphenyl 2-(2-methylpropyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

CCCOc(cc1)ccc1OC(C(c1c2cccc1)=CN(CC(C)C)C2=O)=O

InChI

InChI=1S/C23H25NO4/c1-4-13-27-17-9-11-18(12-10-17)28-23(26)21-15-24(14-16(2)3)22(25)20-8-6-5-7-19(20)21/h5-12,15-16H,4,13-14H2,1-3H3

InChI Key

JKOVWPMHXYTKDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

4.584

Water Solubility, LogSw

-4.45

Polar Surface Area

44.267

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G817-1596 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G817-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-1596?
Check Price and Availability of G817-1596, 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 G817-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-1596
  • 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 G817-1596 available by request