3683-0500 Screening compound: 2-benzoyl-5-(piperidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

3683-0500 Screening compound: 2-benzoyl-5-(piperidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine
3683-0500 Screening compound: 2-benzoyl-5-(piperidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0500
2-benzoyl-5-(piperidin-1-yl)-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

3683-0500

Molecular Formula

C23H25N3OS (C23 H25 N3 OS)

Compound Name

2-benzoyl-5-(piperidin-1-yl)-6H,7H,8H,9H-thieno[2,3-c]isoquinolin-1-amine

IUPAC name

2-benzoyl-5-(piperidin-1-yl)-6H7H8H9H-thieno[23-c]isoquinolin-1-amine

SMILES

Nc1c(C(c2ccccc2)=O)sc2nc(N3CCCCC3)c(CCCC3)c3c12

InChI

InChI=1S/C23H25N3OS/c24-19-18-16-11-5-6-12-17(16)22(26-13-7-2-8-14-26)25-23(18)28-21(19)20(27)15-9-3-1-4-10-15/h1,3-4,9-10H,2,5-8,11-14,24H2

InChI Key

AYFPWYMTBGHPIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-6.01

Polar Surface Area

46.118

Acid Dissociation Constant (pKa)

17.85

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

3683-0500 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 3683-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0500?
Check Price and Availability of 3683-0500, 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 3683-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0500
  • 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 3683-0500 available by request