E146-0252 Screening compound: 1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}azepane

E146-0252 Screening compound: 1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}azepane
E146-0252 Screening compound: 1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-0252
1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}azepane

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

E146-0252

Molecular Formula

C17H18N2O3 (C17 H18 N2 O3)

Compound Name

1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}azepane

IUPAC name

1-{4H-chromeno[34-d][12]oxazole-3-carbonyl}azepane

SMILES

O=C(c1noc-2c1COc1c2cccc1)N1CCCCCC1

InChI

InChI=1S/C17H18N2O3/c20-17(19-9-5-1-2-6-10-19)15-13-11-21-14-8-4-3-7-12(14)16(13)22-18-15/h3-4,7-8H,1-2,5-6,9-11H2

InChI Key

PFMBLPVKIKGLOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.41

Polar Surface Area

47.748

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E146-0252 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E146-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-0252?
Check Price and Availability of E146-0252, 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 E146-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-0252
  • 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 E146-0252 available by request