E920-0049 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-2,3-dihydro-1H-indole

E920-0049 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-2,3-dihydro-1H-indole
E920-0049 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0049
1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-2,3-dihydro-1H-indole

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

E920-0049

Molecular Formula

C17H18N2O2 (C17 H18 N2 O2)

Compound Name

1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-2,3-dihydro-1H-indole

IUPAC name

1-{4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carbonyl}-23-dihydro-1H-indole

SMILES

O=C(c1noc2c1CCCCC2)N(CC1)c2c1cccc2

InChI

InChI=1S/C17H18N2O2/c20-17(19-11-10-12-6-4-5-8-14(12)19)16-13-7-2-1-3-9-15(13)21-18-16/h4-6,8H,1-3,7,9-11H2

InChI Key

IDTGAMWXZANNES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.51

Polar Surface Area

38.648

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E920-0049 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E920-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0049?
Check Price and Availability of E920-0049, 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 E920-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0049
  • 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 E920-0049 available by request