5593-2150 Screening compound: (2Z)-3-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide

5593-2150 Screening compound: (2Z)-3-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
5593-2150 Screening compound: (2Z)-3-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2150
(2Z)-3-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-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

5593-2150

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

(2Z)-3-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide

IUPAC name

(2Z)-3-[(34-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)imino]-N-methyl-4-oxo-13-thiazinane-6-carboxamide

SMILES

CNC(C(CC(N1Cc(cc2)cc(OC)c2OC)=O)S/C1=N\c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H25N3O5S/c1-23-21(27)19-12-20(26)25(13-14-5-10-17(29-3)18(11-14)30-4)22(31-19)24-15-6-8-16(28-2)9-7-15/h5-11,19H,12-13H2,1-4H3,(H,23,27)/t19-/m0/s1

InChI Key

XMLZOBJBMAEUEF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03487265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-2.94

Polar Surface Area

72.687

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

5593-2150 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5593-2150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2150?
Check Price and Availability of 5593-2150, 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 5593-2150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2150
  • 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 5593-2150 available by request