7846-0449 Screening compound: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide

7846-0449 Screening compound: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide
7846-0449 Screening compound: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7846-0449
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-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

7846-0449

Molecular Formula

C20H13FN2OS (C20 H13 FN2 OS)

Compound Name

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

IUPAC name

N-[2-(13-benzothiazol-2-yl)phenyl]-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc(cccc1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C20H13FN2OS/c21-14-11-9-13(10-12-14)19(24)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)25-20/h1-12H,(H,22,24)

InChI Key

BATNSVJBIQGZIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00562511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

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

5.063

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-4.92

Polar Surface Area

32.081

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7846-0449 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with 7846-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7846-0449?
Check Price and Availability of 7846-0449, 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 7846-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7846-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7846-0449
  • 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 7846-0449 available by request