4582-0254 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methylphenyl)amino]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

4582-0254 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methylphenyl)amino]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
4582-0254 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methylphenyl)amino]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0254
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methylphenyl)amino]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-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

4582-0254

Molecular Formula

C19H15ClF3N3O2S (C19 H15 ClF3 N3 O2 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methylphenyl)amino]-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methylphenyl)amino]-4-oxo-56-dihydro-4H-13-thiazine-6-carboxamide

SMILES

Cc(cc1)ccc1NC(SC(C1)C(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)=NC1=O

InChI

InChI=1S/C19H15ClF3N3O2S/c1-10-2-5-12(6-3-10)24-18-26-16(27)9-15(29-18)17(28)25-14-8-11(19(21,22)23)4-7-13(14)20/h2-8,15H,9H2,1H3,(H,25,28)(H,24,26,27)/t15-/m0/s1

InChI Key

UVOVCYCROCDOQI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03164991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.782

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.89

Polar Surface Area

53.866

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

4582-0254 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4582-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0254?
Check Price and Availability of 4582-0254, 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 4582-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0254
  • 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 4582-0254 available by request