C794-0177 Screening compound: 12-ethyl-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-2(6),3,7,11-tetraen-9-one

C794-0177 Screening compound: 12-ethyl-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-2(6),3,7,11-tetraen-9-one
C794-0177 Screening compound: 12-ethyl-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-2(6),3,7,11-tetraen-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0177
12-ethyl-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-2(6),3,7,11-tetraen-9-one

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

C794-0177

Molecular Formula

C11H11N3O2 (C11 H11 N3 O2)

Compound Name

12-ethyl-4-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.0²,⁶]dodeca-2(6),3,7,11-tetraen-9-one

IUPAC name

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

SMILES

CCC(n1c2cc3c1cc(C)o3)=NNC2=O

InChI

InChI=1S/C11H11N3O2/c1-3-10-12-13-11(15)8-5-9-7(14(8)10)4-6(2)16-9/h4-5H,3H2,1-2H3,(H,13,15)

InChI Key

FLYSNVJFNYFAHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.779

Distribution Coefficient, logD

1.770

Water Solubility, LogSw

-1.99

Polar Surface Area

47.616

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

C794-0177 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 C794-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0177?
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What is the minimum amount of C794-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0177
  • 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 C794-0177 available by request