E596-0718 Screening compound: 4-(5-OXO-4-PROPYL-4

E596-0718 Screening compound: 4-(5-OXO-4-PROPYL-4
E596-0718 Screening compound: 4-(5-OXO-4-PROPYL-4 alternative view

Chemical Structure Depiction of ChemDiv screening compound E596-0718
4-(5-OXO-4-PROPYL-4

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

E596-0718

Molecular Formula

C19H25N5O3S (C19 H25 N5 O3 S)

Compound Name

4-(5-OXO-4-PROPYL-4

IUPAC name

n/a

SMILES

CCCN(c1nnc(CCCC(NCC2OCCC2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C19H25N5O3S/c1-2-9-23-18(26)17-14(8-11-28-17)24-15(21-22-19(23)24)6-3-7-16(25)20-12-13-5-4-10-27-13/h8,11,13H,2-7,9-10,12H2,1H3,(H,20,25)/t13-/m1/s1

InChI Key

SXDMVDNGYVKIFV-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.923

Distribution Coefficient, logD

0.923

Water Solubility, LogSw

-2.17

Polar Surface Area

74.100

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

E596-0718 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E596-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E596-0718?
Check Price and Availability of E596-0718, 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 E596-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E596-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E596-0718
  • 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 E596-0718 available by request