G780-0076 Screening compound: methyl 1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxylate

G780-0076 Screening compound: methyl 1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxylate
G780-0076 Screening compound: methyl 1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0076
methyl 1-(4-ethylpiperazin-1-yl)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

G780-0076

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

methyl 1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxylate

IUPAC name

methyl 1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxylate

SMILES

CCN(CC1)CCN1c1ncc(C(OC)=O)c2ccccc12

InChI

InChI=1S/C17H21N3O2/c1-3-19-8-10-20(11-9-19)16-14-7-5-4-6-13(14)15(12-18-16)17(21)22-2/h4-7,12H,3,8-11H2,1-2H3

InChI Key

WSHPHZUPFNLCCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.880

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.94

Polar Surface Area

37.200

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G780-0076 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G780-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0076?
Check Price and Availability of G780-0076, 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 G780-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0076
  • 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 G780-0076 available by request