E613-0285 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-{3-[butyl(methyl)amino]propyl}acetamide

E613-0285 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-{3-[butyl(methyl)amino]propyl}acetamide
E613-0285 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-{3-[butyl(methyl)amino]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0285
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-{3-[butyl(methyl)amino]propyl}acetamide

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

E613-0285

Molecular Formula

C21H29N3O5 (C21 H29 N3 O5)

Compound Name

2-{[5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy}-N-{3-[butyl(methyl)amino]propyl}acetamide

IUPAC name

2-{[5-(2H-13-benzodioxol-5-yl)-12-oxazol-3-yl]methoxy}-N-{3-[butyl(methyl)amino]propyl}acetamide

SMILES

CCCCN(C)CCCNC(COCc1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C21H29N3O5/c1-3-4-9-24(2)10-5-8-22-21(25)14-26-13-17-12-19(29-23-17)16-6-7-18-20(11-16)28-15-27-18/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3,(H,22,25)

InChI Key

GFRMNPPNPXDVOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.437

Distribution Coefficient, logD

-0.161

Water Solubility, LogSw

-2.97

Polar Surface Area

76.204

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E613-0285 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E613-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0285?
Check Price and Availability of E613-0285, 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 E613-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0285
  • 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 E613-0285 available by request