8188-0901 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]propanamide

8188-0901 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]propanamide
8188-0901 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8188-0901
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]propanamide

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

8188-0901

Molecular Formula

C16H12Cl2N2OS (C16 H12 Cl2 N2 OS)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]propanamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-24-dichlorophenyl]propanamide

SMILES

CCC(Nc(cc(-c1nc(cccc2)c2s1)c(Cl)c1)c1Cl)=O

InChI

InChI=1S/C16H12Cl2N2OS/c1-2-15(21)19-13-7-9(10(17)8-11(13)18)16-20-12-5-3-4-6-14(12)22-16/h3-8H,2H2,1H3,(H,19,21)

InChI Key

LWJQQZOFWJXYFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05807769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.108

Water Solubility, LogSw

-5.51

Polar Surface Area

32.139

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8188-0901 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8188-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8188-0901?
Check Price and Availability of 8188-0901, 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 8188-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8188-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8188-0901
  • 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 8188-0901 available by request