4402-0833 Screening compound: 2-(2,3-dimethylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

4402-0833 Screening compound: 2-(2,3-dimethylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
4402-0833 Screening compound: 2-(2,3-dimethylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4402-0833
2-(2,3-dimethylphenoxy)-N-[4-(5-ethyl-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

4402-0833

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

2-(2,3-dimethylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide

IUPAC name

2-(23-dimethylphenoxy)-N-[4-(5-ethyl-13-benzoxazol-2-yl)phenyl]acetamide

SMILES

CCc(cc1)cc2c1oc(-c(cc1)ccc1NC(COc1c(C)c(C)ccc1)=O)n2

InChI

InChI=1S/C25H24N2O3/c1-4-18-8-13-23-21(14-18)27-25(30-23)19-9-11-20(12-10-19)26-24(28)15-29-22-7-5-6-16(2)17(22)3/h5-14H,4,15H2,1-3H3,(H,26,28)

InChI Key

NKSGZYNLHZVYMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

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

6.116

Distribution Coefficient, logD

6.116

Water Solubility, LogSw

-5.44

Polar Surface Area

47.512

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4402-0833 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4402-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4402-0833?
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What is the minimum amount of 4402-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4402-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4402-0833
  • 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 4402-0833 available by request