5593-2436 Screening compound: 4-[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

5593-2436 Screening compound: 4-[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-amido]benzoic acid
5593-2436 Screening compound: 4-[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-amido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-2436
4-[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-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

5593-2436

Molecular Formula

C29H27N3O7S (C29 H27 N3 O7 S)

Compound Name

4-[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-amido]benzoic acid

IUPAC name

4-[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-[(4-methoxyphenyl)methyl]-4-oxo-13-thiazinane-6-amido]benzoic acid

SMILES

CCOC(c(cc1)ccc1/N=C(/N(Cc(cc1)ccc1OC)C(C1)=O)\SC1C(Nc(cc1)ccc1C(O)=O)=O)=O

InChI

InChI=1S/C29H27N3O7S/c1-3-39-28(37)20-8-12-22(13-9-20)31-29-32(17-18-4-14-23(38-2)15-5-18)25(33)16-24(40-29)26(34)30-21-10-6-19(7-11-21)27(35)36/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)(H,35,36)/t24-/m0/s1

InChI Key

NBGXVNJSTQNBBC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02145394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.62

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

5.150

Distribution Coefficient, logD

2.755

Water Solubility, LogSw

-4.80

Polar Surface Area

104.844

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

5593-2436 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5593-2436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-2436?
Check Price and Availability of 5593-2436, 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 5593-2436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-2436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-2436
  • 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 5593-2436 available by request