C794-0021 Screening compound: methyl 2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetate

C794-0021 Screening compound: methyl 2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetate
C794-0021 Screening compound: methyl 2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0021
methyl 2-[8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]acetate

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

C794-0021

Molecular Formula

C11H9N3O3S (C11 H9 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(CN(C1=O)N=Cn2c1cc1c2ccs1)=O

InChI

InChI=1S/C11H9N3O3S/c1-17-10(15)5-14-11(16)8-4-9-7(2-3-18-9)13(8)6-12-14/h2-4,6H,5H2,1H3

InChI Key

QRXKJQPGMUUFBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.545

Distribution Coefficient, logD

0.545

Water Solubility, LogSw

-2.01

Polar Surface Area

51.552

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C794-0021 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with C794-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0021?
Check Price and Availability of C794-0021, 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 C794-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0021
  • 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 C794-0021 available by request