E146-0380 Screening compound: 1'-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,4'-bipiperidine

E146-0380 Screening compound: 1'-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,4'-bipiperidine
E146-0380 Screening compound: 1'-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-0380
1'-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-1,4'-bipiperidine

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

E146-0380

Molecular Formula

C21H25N3O3 (C21 H25 N3 O3)

Compound Name

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

IUPAC name

1'-{4H-chromeno[34-d][12]oxazole-3-carbonyl}-14'-bipiperidine

SMILES

O=C(c1noc-2c1COc1c2cccc1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C21H25N3O3/c25-21(24-12-8-15(9-13-24)23-10-4-1-5-11-23)19-17-14-26-18-7-3-2-6-16(18)20(17)27-22-19/h2-3,6-7,15H,1,4-5,8-14H2

InChI Key

MYGOTBADZRWMCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.867

Distribution Coefficient, logD

-0.572

Water Solubility, LogSw

-3.39

Polar Surface Area

50.510

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E146-0380 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E146-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-0380?
Check Price and Availability of E146-0380, 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 E146-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-0380
  • 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 E146-0380 available by request