E569-0178 Screening compound: 3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-(5-methylpyridin-2-yl)urea

E569-0178 Screening compound: 3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-(5-methylpyridin-2-yl)urea
E569-0178 Screening compound: 3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-(5-methylpyridin-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E569-0178
3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-(5-methylpyridin-2-yl)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

E569-0178

Molecular Formula

C16H16N4O2 (C16 H16 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1onc2CNC(Nc1ncc(C)cc1)=O

InChI

InChI=1S/C16H16N4O2/c1-10-3-5-14-12(7-10)13(20-22-14)9-18-16(21)19-15-6-4-11(2)8-17-15/h3-8H,9H2,1-2H3,(H2,17,18,19,21)

InChI Key

RRLBWOUXWAKFSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.44

Polar Surface Area

66.263

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E569-0178 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E569-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E569-0178?
Check Price and Availability of E569-0178, 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 E569-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E569-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E569-0178
  • 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 E569-0178 available by request