L162-0194 Screening compound: 8-{1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

L162-0194 Screening compound: 8-{1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
L162-0194 Screening compound: 8-{1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound L162-0194
8-{1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

L162-0194

Molecular Formula

C27H29ClN4O3 (C27 H29 ClN4 O3)

Compound Name

8-{1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinoline-7-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1ccc(ccnc2N(CC3)CCN3c(cc3)ccc3Cl)c2c1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C27H29ClN4O3/c28-22-3-5-23(6-4-22)30-13-15-31(16-14-30)25-24-19-21(2-1-20(24)7-10-29-25)26(33)32-11-8-27(9-12-32)34-17-18-35-27/h1-7,10,19H,8-9,11-18H2

InChI Key

LZJLSXDGZDQSEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27235196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.39

Polar Surface Area

46.746

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

L162-0194 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L162-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L162-0194?
Check Price and Availability of L162-0194, 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 L162-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L162-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L162-0194
  • 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 L162-0194 available by request