L112-0688 Screening compound: N-(4-cyanophenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

L112-0688 Screening compound: N-(4-cyanophenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide
L112-0688 Screening compound: N-(4-cyanophenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0688
N-(4-cyanophenyl)-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

L112-0688

Molecular Formula

C26H21N5OS (C26 H21 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)ccc1NC(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)=O

InChI

InChI=1S/C26H21N5OS/c27-15-18-9-11-21(12-10-18)28-24(32)17-33-25-22-7-3-4-8-23(22)29-26(30-25)31-14-13-19-5-1-2-6-20(19)16-31/h1-12H,13-14,16-17H2,(H,28,32)

InChI Key

SKYIGRNVSJBKBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.547

Distribution Coefficient, logD

5.542

Water Solubility, LogSw

-6.07

Polar Surface Area

60.631

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

L112-0688 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 L112-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0688?
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What is the minimum amount of L112-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0688
  • 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 L112-0688 available by request