3297-0546 Screening compound: 2-(4-tert-butylphenoxy)-N-[(furan-2-yl)methyl]acetamide

3297-0546 Screening compound: 2-(4-tert-butylphenoxy)-N-[(furan-2-yl)methyl]acetamide
3297-0546 Screening compound: 2-(4-tert-butylphenoxy)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3297-0546
2-(4-tert-butylphenoxy)-N-[(furan-2-yl)methyl]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

3297-0546

Molecular Formula

C17H21NO3 (C17 H21 NO3)

Compound Name

2-(4-tert-butylphenoxy)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-(4-tert-butylphenoxy)-N-[(furan-2-yl)methyl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(NCc1ccco1)=O

InChI

InChI=1S/C17H21NO3/c1-17(2,3)13-6-8-14(9-7-13)21-12-16(19)18-11-15-5-4-10-20-15/h4-10H,11-12H2,1-3H3,(H,18,19)

InChI Key

ATKFOBBTPVMERG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.19

Polar Surface Area

39.686

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

3297-0546 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3297-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3297-0546?
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What is the minimum amount of 3297-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3297-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3297-0546
  • 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 3297-0546 available by request