4151-0546 Screening compound: 2-[(4-methylphenyl)amino]-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

4151-0546 Screening compound: 2-[(4-methylphenyl)amino]-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
4151-0546 Screening compound: 2-[(4-methylphenyl)amino]-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-thiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0546
2-[(4-methylphenyl)amino]-4-oxo-N-[3-(trifluoromethyl)phenyl]-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

4151-0546

Molecular Formula

C19H16F3N3O2S (C19 H16 F3 N3 O2 S)

Compound Name

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

IUPAC name

2-[(4-methylphenyl)amino]-4-oxo-N-[3-(trifluoromethyl)phenyl]-56-dihydro-4H-13-thiazine-6-carboxamide

SMILES

Cc(cc1)ccc1NC(SC(C1)C(Nc2cc(C(F)(F)F)ccc2)=O)=NC1=O

InChI

InChI=1S/C19H16F3N3O2S/c1-11-5-7-13(8-6-11)24-18-25-16(26)10-15(28-18)17(27)23-14-4-2-3-12(9-14)19(20,21)22/h2-9,15H,10H2,1H3,(H,23,27)(H,24,25,26)/t15-/m0/s1

InChI Key

GWJXTROYXMNWOY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02817308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.42

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

4.302

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.34

Polar Surface Area

54.564

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

4151-0546 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4151-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0546?
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What is the minimum amount of 4151-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0546
  • 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 4151-0546 available by request