G780-0084 Screening compound: methyl 1-{[4-(propan-2-yl)phenyl]amino}isoquinoline-4-carboxylate

G780-0084 Screening compound: methyl 1-{[4-(propan-2-yl)phenyl]amino}isoquinoline-4-carboxylate
G780-0084 Screening compound: methyl 1-{[4-(propan-2-yl)phenyl]amino}isoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0084
methyl 1-{[4-(propan-2-yl)phenyl]amino}isoquinoline-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

G780-0084

Molecular Formula

C20H20N2O2 (C20 H20 N2 O2)

Compound Name

methyl 1-{[4-(propan-2-yl)phenyl]amino}isoquinoline-4-carboxylate

IUPAC name

methyl 1-{[4-(propan-2-yl)phenyl]amino}isoquinoline-4-carboxylate

SMILES

CC(C)c(cc1)ccc1Nc1ncc(C(OC)=O)c2ccccc12

InChI

InChI=1S/C20H20N2O2/c1-13(2)14-8-10-15(11-9-14)22-19-17-7-5-4-6-16(17)18(12-21-19)20(23)24-3/h4-13H,1-3H3,(H,21,22)

InChI Key

ZGPAKEBNLQLHNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

5.173

Water Solubility, LogSw

-5.20

Polar Surface Area

39.830

Acid Dissociation Constant (pKa)

17.51

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G780-0084 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G780-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0084?
Check Price and Availability of G780-0084, 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 G780-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0084
  • 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 G780-0084 available by request