E523-0644 Screening compound: N~1~-benzyl-4-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]butanamide

E523-0644 Screening compound: N~1~-benzyl-4-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]butanamide
E523-0644 Screening compound: N~1~-benzyl-4-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E523-0644
N~1~-benzyl-4-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]butanamide

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

E523-0644

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

N~1~-benzyl-4-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]butanamide

IUPAC name

N-benzyl-4-{10-oxo-2-thia-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl}butanamide

SMILES

O=C(CCCN(c1cccnc1Sc1c2cccc1)C2=O)NCc1ccccc1

InChI

InChI=1S/C23H21N3O2S/c27-21(25-16-17-8-2-1-3-9-17)13-7-15-26-19-11-6-14-24-22(19)29-20-12-5-4-10-18(20)23(26)28/h1-6,8-12,14H,7,13,15-16H2,(H,25,27)

InChI Key

KZBGYVZPTBPSNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.944

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-3.69

Polar Surface Area

50.903

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E523-0644 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E523-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E523-0644?
Check Price and Availability of E523-0644, 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 E523-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E523-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E523-0644
  • 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 E523-0644 available by request