4402-0884 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-ethoxybenzamide

4402-0884 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-ethoxybenzamide
4402-0884 Screening compound: N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4402-0884
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-ethoxybenzamide

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

4402-0884

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-ethoxybenzamide

IUPAC name

N-[4-(57-dimethyl-13-benzoxazol-2-yl)phenyl]-3-ethoxybenzamide

SMILES

CCOc1cccc(C(Nc(cc2)ccc2-c2nc(cc(C)cc3C)c3o2)=O)c1

InChI

InChI=1S/C24H22N2O3/c1-4-28-20-7-5-6-18(14-20)23(27)25-19-10-8-17(9-11-19)24-26-21-13-15(2)12-16(3)22(21)29-24/h5-14H,4H2,1-3H3,(H,25,27)

InChI Key

ZNXHQAHIHJTJLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.40

Polar Surface Area

47.496

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4402-0884 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4402-0884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4402-0884?
Check Price and Availability of 4402-0884, 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 4402-0884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4402-0884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4402-0884
  • 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 4402-0884 available by request