8016-9739 Screening compound: 1-(1-adamantylsulfinyl)indoline

8016-9739 Screening compound: 1-(1-adamantylsulfinyl)indoline
8016-9739 Screening compound: 1-(1-adamantylsulfinyl)indoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9739
1-(1-adamantylsulfinyl)indoline

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

8016-9739

Molecular Formula

C18H23NOS (C18 H23 NOS)

Compound Name

1-(1-adamantylsulfinyl)indoline

IUPAC name

1-(adamantane-1-sulfinyl)-23-dihydro-1H-indole

SMILES

O=S(C1(CC(C2)C3)CC3CC2C1)N(CC1)c2c1cccc2

InChI

InChI=1S/C18H25NOS/c20-21(19-6-5-16-3-1-2-4-17(16)19)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15H,5-12,21H2

InChI Key

RVASAWMJFRNYOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.45

Polar Surface Area

18.523

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

8016-9739 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-9739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9739?
Check Price and Availability of 8016-9739, 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 8016-9739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9739
  • 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 8016-9739 available by request