C301-9377 Screening compound: ethyl 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate

C301-9377 Screening compound: ethyl 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate
C301-9377 Screening compound: ethyl 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9377
ethyl 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-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

C301-9377

Molecular Formula

C13H16N2O3 (C13 H16 N2 O3)

Compound Name

ethyl 2-(3-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetate

IUPAC name

ethyl 2-(3-ethyl-2-oxo-23-dihydro-1H-13-benzodiazol-1-yl)acetate

SMILES

CCN(c(cccc1)c1N1CC(OCC)=O)C1=O

InChI

InChI=1S/C13H16N2O3/c1-3-14-10-7-5-6-8-11(10)15(13(14)17)9-12(16)18-4-2/h5-8H,3-4,9H2,1-2H3

InChI Key

VDCYRIAEIGGENU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09221945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.173

Water Solubility, LogSw

-2.33

Polar Surface Area

38.275

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C301-9377 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-9377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9377?
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What is the minimum amount of C301-9377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9377
  • 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 C301-9377 available by request