E567-0116 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-ethylurea

E567-0116 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-ethylurea
E567-0116 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E567-0116
3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-ethylurea

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

E567-0116

Molecular Formula

C17H16ClN3O2 (C17 H16 ClN3 O2)

Compound Name

3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-ethylurea

IUPAC name

3-[(12-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-ethylurea

SMILES

CCN(C(NCc1noc2c1cccc2)=O)c1cccc(Cl)c1

InChI

InChI=1S/C17H16ClN3O2/c1-2-21(13-7-5-6-12(18)10-13)17(22)19-11-15-14-8-3-4-9-16(14)23-20-15/h3-10H,2,11H2,1H3,(H,19,22)

InChI Key

QTXMPHIXZSLAJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.316

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.45

Polar Surface Area

48.423

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E567-0116 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with E567-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E567-0116?
Check Price and Availability of E567-0116, 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 E567-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E567-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E567-0116
  • 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 E567-0116 available by request