8010-5608 Screening compound: 2-(2,4-dimethylbenzenesulfonyl)-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline

8010-5608 Screening compound: 2-(2,4-dimethylbenzenesulfonyl)-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline
8010-5608 Screening compound: 2-(2,4-dimethylbenzenesulfonyl)-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5608
2-(2,4-dimethylbenzenesulfonyl)-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline

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

8010-5608

Molecular Formula

C25H22N2O2S (C25 H22 N2 O2 S)

Compound Name

2-(2,4-dimethylbenzenesulfonyl)-1-(1H-indol-3-yl)-1,2-dihydroisoquinoline

IUPAC name

2-(24-dimethylbenzenesulfonyl)-1-(1H-indol-3-yl)-12-dihydroisoquinoline

SMILES

Cc(cc1)cc(C)c1S(N(C1c2c[nH]c3c2cccc3)C=Cc2c1cccc2)(=O)=O

InChI

InChI=1S/C25H22N2O2S/c1-17-11-12-24(18(2)15-17)30(28,29)27-14-13-19-7-3-4-8-20(19)25(27)22-16-26-23-10-6-5-9-21(22)23/h3-16,25-26H,1-2H3/t25-/m1/s1

InChI Key

OLLDLNACYLCABB-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02018259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.849

Distribution Coefficient, logD

5.849

Water Solubility, LogSw

-5.77

Polar Surface Area

40.667

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8010-5608 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8010-5608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5608?
Check Price and Availability of 8010-5608, 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 8010-5608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5608
  • 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 8010-5608 available by request