8009-8585 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

8009-8585 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
8009-8585 Screening compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8585
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide

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

8009-8585

Molecular Formula

C15H9F3N2OS (C15 H9 F3 N2 OS)

Compound Name

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

IUPAC name

N-[3-(13-benzothiazol-2-yl)phenyl]-222-trifluoroacetamide

SMILES

O=C(C(F)(F)F)Nc1cccc(-c2nc(cccc3)c3s2)c1

InChI

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

InChI Key

YSPSEORQLFGKCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604758

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

4.589

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.61

Polar Surface Area

33.050

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8009-8585 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-8585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8585?
Check Price and Availability of 8009-8585, 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 8009-8585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8585
  • 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 8009-8585 available by request