E567-0123 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-methylurea

E567-0123 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-methylurea
E567-0123 Screening compound: 3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E567-0123
3-[(1,2-benzoxazol-3-yl)methyl]-1-(3-chlorophenyl)-1-methylurea

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

E567-0123

Molecular Formula

C16H14ClN3O2 (C16 H14 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H14ClN3O2/c1-20(12-6-4-5-11(17)9-12)16(21)18-10-14-13-7-2-3-8-15(13)22-19-14/h2-9H,10H2,1H3,(H,18,21)

InChI Key

FFBUORKWKUZWJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-4.12

Polar Surface Area

48.445

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E567-0123 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E567-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E567-0123?
Check Price and Availability of E567-0123, 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 E567-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E567-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E567-0123
  • 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 E567-0123 available by request