C794-0317 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide

C794-0317 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide
C794-0317 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0317
N~1~-(2,3-dimethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-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

C794-0317

Molecular Formula

C23H26N4O5 (C23 H26 N4 O5)

Compound Name

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

IUPAC name

n/a

SMILES

CCC(C(NCc(cccc1OC)c1OC)=O)N(C1=O)N=C(CC)n2c1cc1c2cco1

InChI

InChI=1S/C23H26N4O5/c1-5-15(22(28)24-13-14-8-7-9-18(30-3)21(14)31-4)27-23(29)17-12-19-16(10-11-32-19)26(17)20(6-2)25-27/h7-12,15H,5-6,13H2,1-4H3,(H,24,28)/t15-/m0/s1

InChI Key

WLTVPGVJUBFPKD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14796180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.25

Polar Surface Area

77.090

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C794-0317 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C794-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0317?
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What is the minimum amount of C794-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0317
  • 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 C794-0317 available by request