3227-0176 Screening compound: 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

3227-0176 Screening compound: 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
3227-0176 Screening compound: 2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3227-0176
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]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

3227-0176

Molecular Formula

C27H28N2O5 (C27 H28 N2 O5)

Compound Name

2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

IUPAC name

2-(4-tert-butylphenoxy)-N-[2-(34-dimethoxyphenyl)-13-benzoxazol-5-yl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(Nc(cc1)cc2c1oc(-c(cc1)cc(OC)c1OC)n2)=O

InChI

InChI=1S/C27H28N2O5/c1-27(2,3)18-7-10-20(11-8-18)33-16-25(30)28-19-9-13-22-21(15-19)29-26(34-22)17-6-12-23(31-4)24(14-17)32-5/h6-15H,16H2,1-5H3,(H,28,30)

InChI Key

PCYJZQMYMKTLJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02804243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.919

Distribution Coefficient, logD

5.919

Water Solubility, LogSw

-5.54

Polar Surface Area

62.686

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 3227-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3227-0176?
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What is the minimum amount of 3227-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3227-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3227-0176
  • 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 3227-0176 available by request