E523-0588 Screening compound: 5-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one

E523-0588 Screening compound: 5-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one
E523-0588 Screening compound: 5-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E523-0588
5-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one

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

E523-0588

Molecular Formula

C28H30N4O2S (C28 H30 N4 O2 S)

Compound Name

5-{4-[4-(2,3-dimethylphenyl)piperazino]-4-oxobutyl}pyrido[2,3-b][1,4]benzothiazepin-6(5H)-one

IUPAC name

9-{4-[4-(23-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-2-thia-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

Cc1cccc(N(CC2)CCN2C(CCCN(c2cccnc2Sc2c3cccc2)C3=O)=O)c1C

InChI

InChI=1S/C28H30N4O2S/c1-20-8-5-10-23(21(20)2)30-16-18-31(19-17-30)26(33)13-7-15-32-24-11-6-14-29-27(24)35-25-12-4-3-9-22(25)28(32)34/h3-6,8-12,14H,7,13,15-19H2,1-2H3

InChI Key

HSXXVNUYMNSUAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.28

Polar Surface Area

45.783

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

E523-0588 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E523-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E523-0588?
Check Price and Availability of E523-0588, 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 E523-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E523-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E523-0588
  • 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 E523-0588 available by request