C794-0198 Screening compound: ethyl 2-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanoate

C794-0198 Screening compound: ethyl 2-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanoate
C794-0198 Screening compound: ethyl 2-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0198
ethyl 2-[5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]butanoate

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

C794-0198

Molecular Formula

C17H21N3O4 (C17 H21 N3 O4)

Compound Name

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

IUPAC name

ethyl 2-{12-ethyl-4-methyl-9-oxo-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)3711-tetraen-10-yl}butanoate

SMILES

CCC(C(OCC)=O)N(C1=O)N=C(CC)n2c1cc1c2cc(C)o1

InChI

InChI=1S/C17H21N3O4/c1-5-11(17(22)23-7-3)20-16(21)13-9-14-12(8-10(4)24-14)19(13)15(6-2)18-20/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1

InChI Key

PORMYGGPRILUHL-NSHDSACASA-N

MDL Number (MFCD)

MFCD14280440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.38

Polar Surface Area

57.597

Acid Dissociation Constant (pKa)

17.11

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

C794-0198 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 C794-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0198?
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What is the minimum amount of C794-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0198
  • 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 C794-0198 available by request