L162-0271 Screening compound: ethyl 1-{1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}piperidine-4-carboxylate

L162-0271 Screening compound: ethyl 1-{1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}piperidine-4-carboxylate
L162-0271 Screening compound: ethyl 1-{1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L162-0271
ethyl 1-{1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}piperidine-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

L162-0271

Molecular Formula

C28H31FN4O3 (C28 H31 FN4 O3)

Compound Name

ethyl 1-{1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1ccc(ccnc2N(CC3)CCN3c(cc3)ccc3F)c2c1)=O)=O

InChI

InChI=1S/C28H31FN4O3/c1-2-36-28(35)21-10-13-33(14-11-21)27(34)22-4-3-20-9-12-30-26(25(20)19-22)32-17-15-31(16-18-32)24-7-5-23(29)6-8-24/h3-9,12,19,21H,2,10-11,13-18H2,1H3

InChI Key

CAEFEKSAGMPXTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27235225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.15

Polar Surface Area

53.062

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

L162-0271 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 L162-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L162-0271?
Check Price and Availability of L162-0271, 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 L162-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L162-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L162-0271
  • 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 L162-0271 available by request