E920-0521 Screening compound: N-(3-acetylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

E920-0521 Screening compound: N-(3-acetylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
E920-0521 Screening compound: N-(3-acetylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0521
N-(3-acetylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

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

E920-0521

Molecular Formula

C17H18N2O3 (C17 H18 N2 O3)

Compound Name

N-(3-acetylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

IUPAC name

N-(3-acetylphenyl)-5-methyl-4567-tetrahydro-12-benzoxazole-3-carboxamide

SMILES

CC(CC1)Cc2c1onc2C(Nc1cc(C(C)=O)ccc1)=O

InChI

InChI=1S/C17H18N2O3/c1-10-6-7-15-14(8-10)16(19-22-15)17(21)18-13-5-3-4-12(9-13)11(2)20/h3-5,9-10H,6-8H2,1-2H3,(H,18,21)/t10-/m1/s1

InChI Key

BHXTYPGMMUJNGG-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD09784387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.38

Polar Surface Area

59.556

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

E920-0521 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E920-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0521?
Check Price and Availability of E920-0521, 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 E920-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0521
  • 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 E920-0521 available by request