8016-5678 Screening compound: 1-(1,2-dihydroacenaphthylene-5-sulfonyl)-2,3-dihydro-1H-indole

8016-5678 Screening compound: 1-(1,2-dihydroacenaphthylene-5-sulfonyl)-2,3-dihydro-1H-indole
8016-5678 Screening compound: 1-(1,2-dihydroacenaphthylene-5-sulfonyl)-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5678
1-(1,2-dihydroacenaphthylene-5-sulfonyl)-2,3-dihydro-1H-indole

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

8016-5678

Molecular Formula

C20H17NO2S (C20 H17 NO2 S)

Compound Name

1-(1,2-dihydroacenaphthylene-5-sulfonyl)-2,3-dihydro-1H-indole

IUPAC name

1-(12-dihydroacenaphthylene-5-sulfonyl)-23-dihydro-1H-indole

SMILES

O=S(c1ccc(CC2)c3c2cccc13)(N(CC1)c2c1cccc2)=O

InChI

InChI=1S/C20H17NO2S/c22-24(23,21-13-12-14-4-1-2-7-18(14)21)19-11-10-16-9-8-15-5-3-6-17(19)20(15)16/h1-7,10-11H,8-9,12-13H2

InChI Key

LEAJOHFXDPKYDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-5.27

Polar Surface Area

31.772

Acid Dissociation Constant (pKa)

26.08

Base Dissociation Constant (pKb)

-6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8016-5678 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-5678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5678?
Check Price and Availability of 8016-5678, 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 8016-5678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5678
  • 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 8016-5678 available by request