L112-0768 Screening compound: N-cyclopentyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

L112-0768 Screening compound: N-cyclopentyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide
L112-0768 Screening compound: N-cyclopentyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0768
N-cyclopentyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

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

L112-0768

Molecular Formula

C24H26N4OS (C24 H26 N4 OS)

Compound Name

N-cyclopentyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

IUPAC name

N-cyclopentyl-2-{[2-(1234-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

SMILES

O=C(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)NC1CCCC1

InChI

InChI=1S/C24H26N4OS/c29-22(25-19-9-3-4-10-19)16-30-23-20-11-5-6-12-21(20)26-24(27-23)28-14-13-17-7-1-2-8-18(17)15-28/h1-2,5-8,11-12,19H,3-4,9-10,13-16H2,(H,25,29)

InChI Key

XQCKWYJQBNLEIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.72

Polar Surface Area

44.989

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L112-0768 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L112-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0768?
Check Price and Availability of L112-0768, 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 L112-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0768
  • 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 L112-0768 available by request