C887-0392 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide

C887-0392 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-[5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetamide
C887-0392 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-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 C887-0392
N~1~-(3,4-dimethoxyphenethyl)-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

C887-0392

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-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-(34-dimethoxyphenyl)ethyl]-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(NCCc(cc1)cc(OC)c1OC)=O)C2=O

InChI

InChI=1S/C22H24N4O5/c1-4-20-24-25(22(28)16-12-18-15(26(16)20)8-10-31-18)13-21(27)23-9-7-14-5-6-17(29-2)19(11-14)30-3/h5-6,8,10-12H,4,7,9,13H2,1-3H3,(H,23,27)

InChI Key

OWIHTJQAIBTNKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14805718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

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

1.300

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-2.25

Polar Surface Area

78.513

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C887-0392 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)

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

References: we are preparing a list of scientific research reports with C887-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C887-0392?
Check Price and Availability of C887-0392, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C887-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C887-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C887-0392
  • 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 C887-0392 available by request