L112-0757 Screening compound: N-butyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

L112-0757 Screening compound: N-butyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide
L112-0757 Screening compound: N-butyl-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0757
N-butyl-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

L112-0757

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)=O

InChI

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

InChI Key

AJIYOODXZNLVTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232930

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

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.17

Polar Surface Area

45.010

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L112-0757 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L112-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0757?
Check Price and Availability of L112-0757, 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 L112-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0757
  • 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 L112-0757 available by request