4525-0228 Screening compound: 2-(naphthalen-2-yloxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide

4525-0228 Screening compound: 2-(naphthalen-2-yloxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide
4525-0228 Screening compound: 2-(naphthalen-2-yloxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4525-0228
2-(naphthalen-2-yloxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide

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

4525-0228

Molecular Formula

C28H24N2O3 (C28 H24 N2 O3)

Compound Name

2-(naphthalen-2-yloxy)-N-{4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}acetamide

IUPAC name

2-(naphthalen-2-yloxy)-N-{4-[5-(propan-2-yl)-13-benzoxazol-2-yl]phenyl}acetamide

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)ccc1NC(COc1cc3ccccc3cc1)=O)n2

InChI

InChI=1S/C28H24N2O3/c1-18(2)21-10-14-26-25(16-21)30-28(33-26)20-7-11-23(12-8-20)29-27(31)17-32-24-13-9-19-5-3-4-6-22(19)15-24/h3-16,18H,17H2,1-2H3,(H,29,31)

InChI Key

YIFWQIGPXNAORY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03061789

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.843

Distribution Coefficient, logD

6.843

Water Solubility, LogSw

-6.47

Polar Surface Area

47.154

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4525-0228 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4525-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4525-0228?
Check Price and Availability of 4525-0228, 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 4525-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4525-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4525-0228
  • 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 4525-0228 available by request