G780-0532 Screening compound: ethyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

G780-0532 Screening compound: ethyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
G780-0532 Screening compound: ethyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G780-0532
ethyl 1-[4-(5-chloro-2-methylphenyl)piperazin-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

G780-0532

Molecular Formula

C23H24ClN3O2 (C23 H24 ClN3 O2)

Compound Name

ethyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

IUPAC name

ethyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate

SMILES

CCOC(c(c1ccccc11)cnc1N(CC1)CCN1c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C23H24ClN3O2/c1-3-29-23(28)20-15-25-22(19-7-5-4-6-18(19)20)27-12-10-26(11-13-27)21-14-17(24)9-8-16(21)2/h4-9,14-15H,3,10-13H2,1-2H3

InChI Key

SHGLWMPRNRHCEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15035593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.179

Distribution Coefficient, logD

6.179

Water Solubility, LogSw

-6.01

Polar Surface Area

36.203

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G780-0532 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G780-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G780-0532?
Check Price and Availability of G780-0532, 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 G780-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G780-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G780-0532
  • 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 G780-0532 available by request