6173-0276 Screening compound: N-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

6173-0276 Screening compound: N-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
6173-0276 Screening compound: N-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6173-0276
N-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]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

6173-0276

Molecular Formula

C19H18ClN3O3S (C19 H18 ClN3 O3 S)

Compound Name

N-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

IUPAC name

N-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-56-dihydro-4H-13-thiazine-6-carboxamide

SMILES

COc1ccc(CNC(SC(C2)C(Nc(cc3)ccc3Cl)=O)=NC2=O)cc1

InChI

InChI=1S/C19H18ClN3O3S/c1-26-15-8-2-12(3-9-15)11-21-19-23-17(24)10-16(27-19)18(25)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H,22,25)(H,21,23,24)/t16-/m0/s1

InChI Key

ICAOBWDPBSBNNJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03863083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.63

Polar Surface Area

63.430

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

6173-0276 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6173-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6173-0276?
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What is the minimum amount of 6173-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6173-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6173-0276
  • 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 6173-0276 available by request