L112-0718 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

L112-0718 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide
L112-0718 Screening compound: N-(2-chloro-4-fluorophenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0718
N-(2-chloro-4-fluorophenyl)-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

L112-0718

Molecular Formula

C25H20ClFN4OS (C25 H20 ClFN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)Nc(ccc(F)c1)c1Cl

InChI

InChI=1S/C25H20ClFN4OS/c26-20-13-18(27)9-10-22(20)28-23(32)15-33-24-19-7-3-4-8-21(19)29-25(30-24)31-12-11-16-5-1-2-6-17(16)14-31/h1-10,13H,11-12,14-15H2,(H,28,32)

InChI Key

OHRDIJRFVXWAAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.98

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

6.326

Distribution Coefficient, logD

6.313

Water Solubility, LogSw

-6.34

Polar Surface Area

42.877

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

L112-0718 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L112-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0718?
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What is the minimum amount of L112-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0718
  • 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 L112-0718 available by request