5716-0030 Screening compound: N-(3-methoxyphenyl)-2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

5716-0030 Screening compound: N-(3-methoxyphenyl)-2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
5716-0030 Screening compound: N-(3-methoxyphenyl)-2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5716-0030
N-(3-methoxyphenyl)-2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

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

5716-0030

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

N-(3-methoxyphenyl)-2-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(3-methoxyphenyl)-2-[(1-methyl-1H-13-benzodiazol-2-yl)sulfanyl]acetamide

SMILES

Cn1c(SCC(Nc2cc(OC)ccc2)=O)nc2c1cccc2

InChI

InChI=1S/C17H17N3O2S/c1-20-15-9-4-3-8-14(15)19-17(20)23-11-16(21)18-12-6-5-7-13(10-12)22-2/h3-10H,11H2,1-2H3,(H,18,21)

InChI Key

LTORAUVLPMZJQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02874124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.93

Polar Surface Area

42.252

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5716-0030 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with 5716-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5716-0030?
Check Price and Availability of 5716-0030, 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 5716-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5716-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5716-0030
  • 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 5716-0030 available by request