C785-0088 Screening compound: 2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylacetamide

C785-0088 Screening compound: 2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylacetamide
C785-0088 Screening compound: 2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C785-0088
2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylacetamide

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

C785-0088

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]-N~1~-phenethylacetamide

IUPAC name

2-{9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}-N-(2-phenylethyl)acetamide

SMILES

O=C(CN(C1=O)N=Cn2c1cc1c2ccs1)NCCc1ccccc1

InChI

InChI=1S/C18H16N4O2S/c23-17(19-8-6-13-4-2-1-3-5-13)11-22-18(24)15-10-16-14(7-9-25-16)21(15)12-20-22/h1-5,7,9-10,12H,6,8,11H2,(H,19,23)

InChI Key

KEUMVTBGZRTFSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

1.430

Water Solubility, LogSw

-2.47

Polar Surface Area

55.015

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C785-0088 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with C785-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C785-0088?
Check Price and Availability of C785-0088, 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 C785-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C785-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C785-0088
  • 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 C785-0088 available by request