6173-0278 Screening compound: 1,3-dimethyl 5-(2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-amido)benzene-1,3-dicarboxylate

6173-0278 Screening compound: 1,3-dimethyl 5-(2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-amido)benzene-1,3-dicarboxylate
6173-0278 Screening compound: 1,3-dimethyl 5-(2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-amido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6173-0278
1,3-dimethyl 5-(2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-amido)benzene-1,3-dicarboxylate

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

6173-0278

Molecular Formula

C23H23N3O7S (C23 H23 N3 O7 S)

Compound Name

1,3-dimethyl 5-(2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-amido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(2-{[(4-methoxyphenyl)methyl]amino}-4-oxo-56-dihydro-4H-13-thiazine-6-amido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(C(C2)SC(NCc(cc3)ccc3OC)=NC2=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C23H23N3O7S/c1-31-17-6-4-13(5-7-17)12-24-23-26-19(27)11-18(34-23)20(28)25-16-9-14(21(29)32-2)8-15(10-16)22(30)33-3/h4-10,18H,11-12H2,1-3H3,(H,25,28)(H,24,26,27)/t18-/m0/s1

InChI Key

KAXPLHCUINOTDC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03863084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.42

Polar Surface Area

105.778

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

6173-0278 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6173-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6173-0278?
Check Price and Availability of 6173-0278, 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 6173-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6173-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6173-0278
  • 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 6173-0278 available by request