C887-0448 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2-phenylpropyl)acetamide

C887-0448 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2-phenylpropyl)acetamide
C887-0448 Screening compound: 2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-0448
2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-(2-phenylpropyl)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

C887-0448

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

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

SMILES

CCC(n1c2cc3c1cco3)=NN(CC(NCC(C)c1ccccc1)=O)C2=O

InChI

InChI=1S/C21H22N4O3/c1-3-19-23-24(21(27)17-11-18-16(25(17)19)9-10-28-18)13-20(26)22-12-14(2)15-7-5-4-6-8-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1

InChI Key

SFXALLZFMKWGBX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14805733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.20

Polar Surface Area

63.411

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C887-0448 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C887-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0448?
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What is the minimum amount of C887-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0448
  • 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 C887-0448 available by request