E240-0049 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazine

E240-0049 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazine
E240-0049 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E240-0049
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazine

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

E240-0049

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(3-methoxyphenyl)-12-oxazole-5-carbonyl]piperazine

SMILES

COc1cccc(-c2noc(C(N3CCN(Cc(cc4)cc5c4OCO5)CC3)=O)c2)c1

InChI

InChI=1S/C23H23N3O5/c1-28-18-4-2-3-17(12-18)19-13-22(31-24-19)23(27)26-9-7-25(8-10-26)14-16-5-6-20-21(11-16)30-15-29-20/h2-6,11-13H,7-10,14-15H2,1H3

InChI Key

HWEKTRGXKVWUQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.344

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.45

Polar Surface Area

66.622

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E240-0049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E240-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E240-0049?
Check Price and Availability of E240-0049, 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 E240-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E240-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E240-0049
  • 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 E240-0049 available by request