E569-0217 Screening compound: 1-(2-cyanophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

E569-0217 Screening compound: 1-(2-cyanophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea
E569-0217 Screening compound: 1-(2-cyanophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E569-0217
1-(2-cyanophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

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

E569-0217

Molecular Formula

C17H14N4O2 (C17 H14 N4 O2)

Compound Name

1-(2-cyanophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]urea

IUPAC name

1-(2-cyanophenyl)-3-[(5-methyl-12-benzoxazol-3-yl)methyl]urea

SMILES

Cc(cc1)cc2c1onc2CNC(Nc(cccc1)c1C#N)=O

InChI

InChI=1S/C17H14N4O2/c1-11-6-7-16-13(8-11)15(21-23-16)10-19-17(22)20-14-5-3-2-4-12(14)9-18/h2-8H,10H2,1H3,(H2,19,20,22)

InChI Key

XBZHDDKFNKXDRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.987

Water Solubility, LogSw

-3.43

Polar Surface Area

72.916

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E569-0217 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E569-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E569-0217?
Check Price and Availability of E569-0217, 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 E569-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E569-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E569-0217
  • 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 E569-0217 available by request