E146-0501 Screening compound: 1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane

E146-0501 Screening compound: 1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane
E146-0501 Screening compound: 1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-0501
1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane

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

E146-0501

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

1-{4H-chromeno[3,4-d][1,2]oxazole-3-carbonyl}-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane

IUPAC name

1-{4H-chromeno[34-d][12]oxazole-3-carbonyl}-3-[(25-dimethylphenyl)methyl]-13-diazinane

SMILES

Cc1cc(CN(CCC2)CN2C(c2noc-3c2COc2c3cccc2)=O)c(C)cc1

InChI

InChI=1S/C24H25N3O3/c1-16-8-9-17(2)18(12-16)13-26-10-5-11-27(15-26)24(28)22-20-14-29-21-7-4-3-6-19(21)23(20)30-25-22/h3-4,6-9,12H,5,10-11,13-15H2,1-2H3

InChI Key

VKNZQOWWOQWZSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.44

Polar Surface Area

51.697

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

E146-0501 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E146-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-0501?
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What is the minimum amount of E146-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-0501
  • 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 E146-0501 available by request