L162-0404 Screening compound: N-(butan-2-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide

L162-0404 Screening compound: N-(butan-2-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
L162-0404 Screening compound: N-(butan-2-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L162-0404
N-(butan-2-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide

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

L162-0404

Molecular Formula

C24H27FN4O (C24 H27 FN4 O)

Compound Name

N-(butan-2-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide

IUPAC name

N-(butan-2-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide

SMILES

CCC(C)NC(c1ccc(ccnc2N(CC3)CCN3c(cccc3)c3F)c2c1)=O

InChI

InChI=1S/C24H27FN4O/c1-3-17(2)27-24(30)19-9-8-18-10-11-26-23(20(18)16-19)29-14-12-28(13-15-29)22-7-5-4-6-21(22)25/h4-11,16-17H,3,12-15H2,1-2H3,(H,27,30)/t17-/m0/s1

InChI Key

CPQCCYCKCOBXFI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27235279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-4.12

Polar Surface Area

39.486

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

L162-0404 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L162-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L162-0404?
Check Price and Availability of L162-0404, 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 L162-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L162-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L162-0404
  • 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 L162-0404 available by request