C794-0183 Screening compound: N~1~-(2-ethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C794-0183 Screening compound: N~1~-(2-ethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C794-0183 Screening compound: N~1~-(2-ethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0183
N~1~-(2-ethoxybenzyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

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

C794-0183

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

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

IUPAC name

N-[(2-ethoxyphenyl)methyl]-2-{12-ethyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}acetamide

SMILES

CCC(n1c2cc3c1cco3)=NN(CC(NCc(cccc1)c1OCC)=O)C2=O

InChI

InChI=1S/C21H22N4O4/c1-3-19-23-24(21(27)16-11-18-15(25(16)19)9-10-29-18)13-20(26)22-12-14-7-5-6-8-17(14)28-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,22,26)

InChI Key

JJTWCDLYUSDJNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-2.83

Polar Surface Area

70.621

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C794-0183 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 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 C794-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0183?
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What is the minimum amount of C794-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0183
  • 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 C794-0183 available by request