0821-0422 Screening compound: 2-benzoyl-5-phenyl-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

0821-0422 Screening compound: 2-benzoyl-5-phenyl-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine
0821-0422 Screening compound: 2-benzoyl-5-phenyl-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0821-0422
2-benzoyl-5-phenyl-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

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

0821-0422

Molecular Formula

C24H20N2OS (C24 H20 N2 OS)

Compound Name

2-benzoyl-5-phenyl-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

IUPAC name

2-benzoyl-5-phenyl-6H7H8H9H-thieno[23-c]isoquinolin-1-amine

SMILES

Nc1c(C(c2ccccc2)=O)sc2nc(-c3ccccc3)c(CCCC3)c3c12

InChI

InChI=1S/C24H20N2OS/c25-20-19-17-13-7-8-14-18(17)21(15-9-3-1-4-10-15)26-24(19)28-23(20)22(27)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,25H2

InChI Key

KYYLXTLSSDAORU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00473569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.090

Distribution Coefficient, logD

6.090

Water Solubility, LogSw

-6.10

Polar Surface Area

43.232

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0821-0422 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0821-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0821-0422?
Check Price and Availability of 0821-0422, 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 0821-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0821-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0821-0422
  • 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 0821-0422 available by request