L112-0765 Screening compound: N-(butan-2-yl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

L112-0765 Screening compound: N-(butan-2-yl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide
L112-0765 Screening compound: N-(butan-2-yl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0765
N-(butan-2-yl)-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

L112-0765

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)=O

InChI

InChI=1S/C23H26N4OS/c1-3-16(2)24-21(28)15-29-22-19-10-6-7-11-20(19)25-23(26-22)27-13-12-17-8-4-5-9-18(17)14-27/h4-11,16H,3,12-15H2,1-2H3,(H,24,28)/t16-/m0/s1

InChI Key

BOQLCGZFKDEAFA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27232932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.040

Distribution Coefficient, logD

5.036

Water Solubility, LogSw

-4.72

Polar Surface Area

44.610

Acid Dissociation Constant (pKa)

15.99

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

L112-0765 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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

References: we are preparing a list of scientific research reports with L112-0765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0765?
Check Price and Availability of L112-0765, 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 L112-0765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0765
  • 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 L112-0765 available by request