8289-3944 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide

8289-3944 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
8289-3944 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8289-3944
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chloro-3,5-dimethylphenoxy)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

8289-3944

Molecular Formula

C24H21ClN2O3S (C24 H21 ClN2 O3 S)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chloro-35-dimethylphenoxy)acetamide

SMILES

Cc1cc(OCC(Nc(cc(cc2)-c3nc(cccc4)c4s3)c2OC)=O)cc(C)c1Cl

InChI

InChI=1S/C24H21ClN2O3S/c1-14-10-17(11-15(2)23(14)25)30-13-22(28)26-19-12-16(8-9-20(19)29-3)24-27-18-6-4-5-7-21(18)31-24/h4-12H,13H2,1-3H3,(H,26,28)

InChI Key

WKILRRHPYCQVIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05661422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.569

Distribution Coefficient, logD

6.569

Water Solubility, LogSw

-6.38

Polar Surface Area

46.997

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8289-3944 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8289-3944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8289-3944?
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What is the minimum amount of 8289-3944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8289-3944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8289-3944
  • 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 8289-3944 available by request