L112-0696 Screening compound: methyl 2-(2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate

L112-0696 Screening compound: methyl 2-(2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate
L112-0696 Screening compound: methyl 2-(2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0696
methyl 2-(2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate

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

L112-0696

Molecular Formula

C27H24N4O3S (C27 H24 N4 O3 S)

Compound Name

methyl 2-(2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 2-(2-{[2-(1234-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)=O)=O

InChI

InChI=1S/C27H24N4O3S/c1-34-26(33)21-11-5-7-13-23(21)28-24(32)17-35-25-20-10-4-6-12-22(20)29-27(30-25)31-15-14-18-8-2-3-9-19(18)16-31/h2-13H,14-17H2,1H3,(H,28,32)

InChI Key

DQUPIPULVXPRMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.598

Water Solubility, LogSw

-5.68

Polar Surface Area

64.051

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L112-0696 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Integrin Receptors Targeted library (1715 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L112-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0696?
Check Price and Availability of L112-0696, 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 L112-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0696
  • 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 L112-0696 available by request