C794-0304 Screening compound: 4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-isopropoxybenzyl)butanamide

C794-0304 Screening compound: 4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-isopropoxybenzyl)butanamide
C794-0304 Screening compound: 4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-isopropoxybenzyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0304
4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-isopropoxybenzyl)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

C794-0304

Molecular Formula

C24H28N4O4 (C24 H28 N4 O4)

Compound Name

4-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-isopropoxybenzyl)butanamide

IUPAC name

4-{12-ethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide

SMILES

CCC(n1c2cc3c1cco3)=NN(CCCC(NCc(cc1)ccc1OC(C)C)=O)C2=O

InChI

InChI=1S/C24H28N4O4/c1-4-22-26-27(24(30)20-14-21-19(28(20)22)11-13-31-21)12-5-6-23(29)25-15-17-7-9-18(10-8-17)32-16(2)3/h7-11,13-14,16H,4-6,12,15H2,1-3H3,(H,25,29)

InChI Key

MVEHDIPCMGDXNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.550

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-2.79

Polar Surface Area

70.192

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C794-0304 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0304?
Check Price and Availability of C794-0304, 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 C794-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0304
  • 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 C794-0304 available by request