J027-0453 Screening compound: N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole-2-carboxamide

J027-0453 Screening compound: N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole-2-carboxamide
J027-0453 Screening compound: N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J027-0453
N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole-2-carboxamide

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

J027-0453

Molecular Formula

C15H9F3N2OS (C15 H9 F3 N2 OS)

Compound Name

N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole-2-carboxamide

IUPAC name

N-[2-(trifluoromethyl)phenyl]-13-benzothiazole-2-carboxamide

SMILES

O=C(c1nc(cccc2)c2s1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C15H9F3N2OS/c16-15(17,18)9-5-1-2-6-10(9)19-13(21)14-20-11-7-3-4-8-12(11)22-14/h1-8H,(H,19,21)

InChI Key

YPLRHLAMGIHPKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.31

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

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.59

Polar Surface Area

32.352

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

J027-0453 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with J027-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J027-0453?
Check Price and Availability of J027-0453, 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 J027-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J027-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J027-0453
  • 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 J027-0453 available by request