3820-2398 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

3820-2398 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
3820-2398 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-2398
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

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

3820-2398

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

IUPAC name

N-[3-(56-dimethyl-13-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide

SMILES

CC(C)C(Nc1c(C)c(-c2nc(cc(C)c(C)c3)c3o2)ccc1)=O

InChI

InChI=1S/C20H22N2O2/c1-11(2)19(23)21-16-8-6-7-15(14(16)5)20-22-17-9-12(3)13(4)10-18(17)24-20/h6-11H,1-5H3,(H,21,23)

InChI Key

PLPSSFJLEBZKFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.071

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-4.67

Polar Surface Area

39.714

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3820-2398 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3820-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-2398?
Check Price and Availability of 3820-2398, 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 3820-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-2398
  • 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 3820-2398 available by request