8289-4296 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-fluorobenzamide

8289-4296 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-fluorobenzamide
8289-4296 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8289-4296
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-fluorobenzamide

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

8289-4296

Molecular Formula

C20H11Cl2FN2OS (C20 H11 Cl2 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)Nc(cc(-c1nc(cccc2)c2s1)c(Cl)c1)c1Cl

InChI

InChI=1S/C20H11Cl2FN2OS/c21-13-10-14(22)17(24-19(26)11-5-1-2-6-15(11)23)9-12(13)20-25-16-7-3-4-8-18(16)27-20/h1-10H,(H,24,26)

InChI Key

BKCYKUCUUUCIAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05808433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.29

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

6.414

Distribution Coefficient, logD

5.930

Water Solubility, LogSw

-6.52

Polar Surface Area

32.081

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8289-4296 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8289-4296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8289-4296?
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What is the minimum amount of 8289-4296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8289-4296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8289-4296
  • 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 8289-4296 available by request