2228-0238 Screening compound: 1-methyl-3-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

2228-0238 Screening compound: 1-methyl-3-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
2228-0238 Screening compound: 1-methyl-3-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2228-0238
1-methyl-3-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

2228-0238

Molecular Formula

C17H18N2O2 (C17 H18 N2 O2)

Compound Name

1-methyl-3-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

1-methyl-3-[2-(2-methylphenoxy)ethyl]-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc(cccc1)c1OCCN(c(cccc1)c1N1C)C1=O

InChI

InChI=1S/C17H18N2O2/c1-13-7-3-6-10-16(13)21-12-11-19-15-9-5-4-8-14(15)18(2)17(19)20/h3-10H,11-12H2,1-2H3

InChI Key

BTTCIXNDQRZJOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

3.705

Water Solubility, LogSw

-3.95

Polar Surface Area

25.369

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2228-0238 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2228-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2228-0238?
Check Price and Availability of 2228-0238, 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 2228-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2228-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2228-0238
  • 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 2228-0238 available by request