4490-2213 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide

4490-2213 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide
4490-2213 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-2213
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-methoxynaphthalene-2-carboxamide

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

4490-2213

Molecular Formula

C28H24N2O3 (C28 H24 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C)c1)cc2c1oc(-c1cccc(NC(c3cc4ccccc4cc3OC)=O)c1C)n2

InChI

InChI=1S/C28H24N2O3/c1-16-12-24-26(13-17(16)2)33-28(30-24)21-10-7-11-23(18(21)3)29-27(31)22-14-19-8-5-6-9-20(19)15-25(22)32-4/h5-15H,1-4H3,(H,29,31)

InChI Key

BPGIEMCBEJAYDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.132

Distribution Coefficient, logD

7.131

Water Solubility, LogSw

-6.64

Polar Surface Area

46.801

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4490-2213 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4490-2213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-2213?
Check Price and Availability of 4490-2213, 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 4490-2213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-2213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-2213
  • 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 4490-2213 available by request