4768-0441 Screening compound: 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

4768-0441 Screening compound: 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
4768-0441 Screening compound: 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4768-0441
2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

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

4768-0441

Molecular Formula

C16H11F3N2OS (C16 H11 F3 N2 OS)

Compound Name

2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

IUPAC name

222-trifluoro-N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]acetamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(C(F)(F)F)=O)s2

InChI

InChI=1S/C16H11F3N2OS/c1-9-2-7-12-13(8-9)23-14(21-12)10-3-5-11(6-4-10)20-15(22)16(17,18)19/h2-8H,1H3,(H,20,22)

InChI Key

SGUUFUYIWSZBTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.34

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

4.696

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.46

Polar Surface Area

33.050

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4768-0441 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4768-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4768-0441?
Check Price and Availability of 4768-0441, 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 4768-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4768-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4768-0441
  • 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 4768-0441 available by request