L112-0698 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

L112-0698 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide
L112-0698 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L112-0698
N-(3,4-dimethoxyphenyl)-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

L112-0698

Molecular Formula

C27H26N4O3S (C27 H26 N4 O3 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-2-{[2-(1234-tetrahydroisoquinolin-2-yl)quinazolin-4-yl]sulfanyl}acetamide

SMILES

COc(ccc(NC(CSc1nc(N(CC2)Cc3c2cccc3)nc2ccccc12)=O)c1)c1OC

InChI

InChI=1S/C27H26N4O3S/c1-33-23-12-11-20(15-24(23)34-2)28-25(32)17-35-26-21-9-5-6-10-22(21)29-27(30-26)31-14-13-18-7-3-4-8-19(18)16-31/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32)

InChI Key

CBONAJPXMDDUSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.428

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.68

Polar Surface Area

58.836

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L112-0698 in Drug Discovery

Included in Screening Libraries

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 L112-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L112-0698?
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What is the minimum amount of L112-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L112-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L112-0698
  • 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 L112-0698 available by request