L112-0685 Screening compound: N-(4-acetylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

L112-0685 Screening compound: N-(4-acetylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide
L112-0685 Screening compound: N-(4-acetylphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0685
N-(4-acetylphenyl)-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

L112-0685

Molecular Formula

C27H24N4O2S (C27 H24 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)=O)=O

InChI

InChI=1S/C27H24N4O2S/c1-18(32)19-10-12-22(13-11-19)28-25(33)17-34-26-23-8-4-5-9-24(23)29-27(30-26)31-15-14-20-6-2-3-7-21(20)16-31/h2-13H,14-17H2,1H3,(H,28,33)

InChI Key

FKNDPYCBKMVFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-5.55

Polar Surface Area

57.402

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with L112-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0685?
Check Price and Availability of L112-0685, 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 L112-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0685
  • 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 L112-0685 available by request