7832-0004 Screening compound: 1-(4-chlorophenyl)-1,4-dihydroisoquinoline-3-thiol

7832-0004 Screening compound: 1-(4-chlorophenyl)-1,4-dihydroisoquinoline-3-thiol
7832-0004 Screening compound: 1-(4-chlorophenyl)-1,4-dihydroisoquinoline-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7832-0004
1-(4-chlorophenyl)-1,4-dihydroisoquinoline-3-thiol

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

7832-0004

Molecular Formula

C15H12ClNS (C15 H12 ClNS)

Compound Name

1-(4-chlorophenyl)-1,4-dihydroisoquinoline-3-thiol

IUPAC name

1-(4-chlorophenyl)-14-dihydroisoquinoline-3-thiol

SMILES

SC(C1)=NC(c(cc2)ccc2Cl)c2c1cccc2

InChI

InChI=1S/C15H12ClNS/c16-12-7-5-10(6-8-12)15-13-4-2-1-3-11(13)9-14(18)17-15/h1-8,15H,9H2,(H,17,18)/t15-/m0/s1

InChI Key

IFBQTHVUDONCPV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06014588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

1.095

Water Solubility, LogSw

-5.34

Polar Surface Area

9.499

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

7832-0004 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7832-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7832-0004?
Check Price and Availability of 7832-0004, 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 7832-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7832-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7832-0004
  • 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 7832-0004 available by request