C794-0040 Screening compound: ethyl 2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanoate

C794-0040 Screening compound: ethyl 2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanoate
C794-0040 Screening compound: ethyl 2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0040
ethyl 2-[5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanoate

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

C794-0040

Molecular Formula

C14H15N3O3S (C14 H15 N3 O3 S)

Compound Name

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

IUPAC name

ethyl 2-{12-methyl-9-oxo-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}propanoate

SMILES

CCOC(C(C)N(C1=O)N=C(C)n2c1cc1c2ccs1)=O

InChI

InChI=1S/C14H15N3O3S/c1-4-20-14(19)8(2)17-13(18)11-7-12-10(5-6-21-12)16(11)9(3)15-17/h5-8H,4H2,1-3H3/t8-/m0/s1

InChI Key

WJHPGXMHIYIGEG-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD14280418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.401

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-2.61

Polar Surface Area

49.953

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

C794-0040 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with C794-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0040?
Check Price and Availability of C794-0040, 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 C794-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0040
  • 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 C794-0040 available by request