E523-0439 Screening compound: N~1~-(4-isopropylphenyl)-3-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]propanamide

E523-0439 Screening compound: N~1~-(4-isopropylphenyl)-3-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]propanamide
E523-0439 Screening compound: N~1~-(4-isopropylphenyl)-3-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E523-0439
N~1~-(4-isopropylphenyl)-3-[6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl]propanamide

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

E523-0439

Molecular Formula

C24H23N3O2S (C24 H23 N3 O2 S)

Compound Name

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

IUPAC name

3-{10-oxo-2-thia-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl}-N-[4-(propan-2-yl)phenyl]propanamide

SMILES

CC(C)c(cc1)ccc1NC(CCN(c1cccnc1Sc1c2cccc1)C2=O)=O

InChI

InChI=1S/C24H23N3O2S/c1-16(2)17-9-11-18(12-10-17)26-22(28)13-15-27-20-7-5-14-25-23(20)30-21-8-4-3-6-19(21)24(27)29/h3-12,14,16H,13,15H2,1-2H3,(H,26,28)

InChI Key

KDDYUHVYAMHBDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14894634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.835

Water Solubility, LogSw

-4.32

Polar Surface Area

49.581

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E523-0439 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E523-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E523-0439?
Check Price and Availability of E523-0439, 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 E523-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E523-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E523-0439
  • 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 E523-0439 available by request