5593-2125 Screening compound: 4-[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-amido]benzoic acid

5593-2125 Screening compound: 4-[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-amido]benzoic acid
5593-2125 Screening compound: 4-[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2125
4-[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-amido]benzoic acid

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

5593-2125

Molecular Formula

C24H21N3O5S2 (C24 H21 N3 O5 S2)

Compound Name

4-[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-[(thiophen-2-yl)methyl]-1,3-thiazinane-6-amido]benzoic acid

IUPAC name

4-[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-[(thiophen-2-yl)methyl]-13-thiazinane-6-amido]benzoic acid

SMILES

COc(cc1)ccc1/N=C(/N(Cc1cccs1)C(C1)=O)\SC1C(Nc(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C24H21N3O5S2/c1-32-18-10-8-17(9-11-18)26-24-27(14-19-3-2-12-33-19)21(28)13-20(34-24)22(29)25-16-6-4-15(5-7-16)23(30)31/h2-12,20H,13-14H2,1H3,(H,25,29)(H,30,31)/t20-/m0/s1

InChI Key

RAXUOSTYFQBQTR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03453845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

1.810

Water Solubility, LogSw

-4.11

Polar Surface Area

85.109

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

5593-2125 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 5593-2125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2125?
Check Price and Availability of 5593-2125, 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 5593-2125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2125
  • 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 5593-2125 available by request