3784-0050 Screening compound: N-(3-butoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

3784-0050 Screening compound: N-(3-butoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
3784-0050 Screening compound: N-(3-butoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3784-0050
N-(3-butoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]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

3784-0050

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

N-(3-butoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(3-butoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

SMILES

CCCCOc1cccc(NC(CSc2nccn2C)=O)c1

InChI

InChI=1S/C16H21N3O2S/c1-3-4-10-21-14-7-5-6-13(11-14)18-15(20)12-22-16-17-8-9-19(16)2/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,20)

InChI Key

JNYVJTAXTLGAIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02916958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.284

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.49

Polar Surface Area

43.453

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3784-0050 in Drug Discovery

Included in Screening Libraries

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 3784-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3784-0050?
Check Price and Availability of 3784-0050, 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 3784-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3784-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3784-0050
  • 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 3784-0050 available by request