C794-0191 Screening compound: ethyl 2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanoate

C794-0191 Screening compound: ethyl 2-[5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl]propanoate
C794-0191 Screening compound: ethyl 2-[5-methyl-8-oxofuro[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 C794-0191
ethyl 2-[5-methyl-8-oxofuro[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

C794-0191

Molecular Formula

C14H15N3O4 (C14 H15 N3 O4)

Compound Name

ethyl 2-[5-methyl-8-oxofuro[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-oxa-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)n2c1cc1c2cco1)=O

InChI

InChI=1S/C14H15N3O4/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

SWQHZXLPRNHLKT-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD14280436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.776

Distribution Coefficient, logD

1.776

Water Solubility, LogSw

-2.10

Polar Surface Area

57.406

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

C794-0191 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 C794-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0191?
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What is the minimum amount of C794-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0191
  • 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 C794-0191 available by request