7418-0379 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-fluorobenzamide

7418-0379 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-fluorobenzamide
7418-0379 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7418-0379
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-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

7418-0379

Molecular Formula

C21H15FN2O2S (C21 H15 FN2 O2 S)

Compound Name

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

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methoxyphenyl]-3-fluorobenzamide

SMILES

COc(ccc(-c1nc(cccc2)c2s1)c1)c1NC(c1cc(F)ccc1)=O

InChI

InChI=1S/C21H15FN2O2S/c1-26-18-10-9-14(21-24-16-7-2-3-8-19(16)27-21)12-17(18)23-20(25)13-5-4-6-15(22)11-13/h2-12H,1H3,(H,23,25)

InChI Key

IBEQIYBEGFYSKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03836375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.225

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-5.14

Polar Surface Area

39.711

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

7418-0379 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7418-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7418-0379?
Check Price and Availability of 7418-0379, 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 7418-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7418-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7418-0379
  • 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 7418-0379 available by request