3158-0021 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

3158-0021 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
3158-0021 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3158-0021
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

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

3158-0021

Molecular Formula

C22H18N2O2S (C22 H18 N2 O2 S)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

SMILES

Cc(ccc(-c1nc(cccc2)c2s1)c1)c1NC(COc1ccccc1)=O

InChI

InChI=1S/C22H18N2O2S/c1-15-11-12-16(22-24-18-9-5-6-10-20(18)27-22)13-19(15)23-21(25)14-26-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25)

InChI Key

AGWXVVDQTWPGEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-4.93

Polar Surface Area

39.366

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3158-0021 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 3158-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3158-0021?
Check Price and Availability of 3158-0021, 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 3158-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3158-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3158-0021
  • 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 3158-0021 available by request