4151-0549 Screening compound: 2-[(4-methylphenyl)amino]-N-(naphthalen-1-yl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

4151-0549 Screening compound: 2-[(4-methylphenyl)amino]-N-(naphthalen-1-yl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
4151-0549 Screening compound: 2-[(4-methylphenyl)amino]-N-(naphthalen-1-yl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0549
2-[(4-methylphenyl)amino]-N-(naphthalen-1-yl)-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

4151-0549

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

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

IUPAC name

2-[(4-methylphenyl)amino]-N-(naphthalen-1-yl)-4-oxo-56-dihydro-4H-13-thiazine-6-carboxamide

SMILES

Cc(cc1)ccc1NC(SC(C1)C(Nc2cccc3ccccc23)=O)=NC1=O

InChI

InChI=1S/C22H19N3O2S/c1-14-9-11-16(12-10-14)23-22-25-20(26)13-19(28-22)21(27)24-18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,24,27)(H,23,25,26)/t19-/m0/s1

InChI Key

AEKJRCSYXSJEIB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02719812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.27

Polar Surface Area

53.595

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

4151-0549 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4151-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0549?
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What is the minimum amount of 4151-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0549
  • 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 4151-0549 available by request