C794-0186 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)acetamide

C794-0186 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)acetamide
C794-0186 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0186
2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(4-propoxybenzyl)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

C794-0186

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CNC(CN(C2=O)N=C(CC)n3c2cc2c3cco2)=O)cc1

InChI

InChI=1S/C22H24N4O4/c1-3-10-29-16-7-5-15(6-8-16)13-23-21(27)14-25-22(28)18-12-19-17(9-11-30-19)26(18)20(4-2)24-25/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H,23,27)

InChI Key

FPGGFYUCUJRBDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

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

2.967

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.23

Polar Surface Area

70.829

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C794-0186 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0186?
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What is the minimum amount of C794-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0186
  • 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 C794-0186 available by request