8014-2077 Screening compound: 2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid

8014-2077 Screening compound: 2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid
8014-2077 Screening compound: 2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2077
2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid

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

8014-2077

Molecular Formula

C17H15NO2S (C17 H15 NO2 S)

Compound Name

2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid

IUPAC name

2-[(1-benzyl-1H-indol-3-yl)sulfanyl]acetic acid

SMILES

OC(CSc1cn(Cc2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C17H15NO2S/c19-17(20)12-21-16-11-18(10-13-6-2-1-3-7-13)15-9-5-4-8-14(15)16/h1-9,11H,10,12H2,(H,19,20)

InChI Key

AWNSSDYXGNZKMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03410208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

-0.431

Water Solubility, LogSw

-3.02

Polar Surface Area

30.354

Acid Dissociation Constant (pKa)

3.91

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8014-2077 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-2077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2077?
Check Price and Availability of 8014-2077, 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 8014-2077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2077
  • 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 8014-2077 available by request