C887-0905 Screening compound: 5-ethyl-7-(1-methyl-2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

C887-0905 Screening compound: 5-ethyl-7-(1-methyl-2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
C887-0905 Screening compound: 5-ethyl-7-(1-methyl-2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C887-0905
5-ethyl-7-(1-methyl-2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

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

C887-0905

Molecular Formula

C24H24F3N5O3 (C24 H24 F3 N5 O3)

Compound Name

5-ethyl-7-(1-methyl-2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazino}ethyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one

IUPAC name

12-ethyl-10-(1-oxo-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-yl)-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-9-one

SMILES

CCC(n1c2cc3c1cco3)=NN(C(C)C(N(CC1)CCN1c1cccc(C(F)(F)F)c1)=O)C2=O

InChI

InChI=1S/C24H24F3N5O3/c1-3-21-28-32(23(34)19-14-20-18(31(19)21)7-12-35-20)15(2)22(33)30-10-8-29(9-11-30)17-6-4-5-16(13-17)24(25,26)27/h4-7,12-15H,3,8-11H2,1-2H3/t15-/m0/s1

InChI Key

RXTDIZCVDBDJHF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14805818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.74

Polar Surface Area

57.653

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C887-0905 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C887-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0905?
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What is the minimum amount of C887-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0905
  • 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 C887-0905 available by request