3448-0063 Screening compound: ethyl 2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)acetate

3448-0063 Screening compound: ethyl 2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)acetate
3448-0063 Screening compound: ethyl 2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-0063
ethyl 2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)acetate

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

3448-0063

Molecular Formula

C16H23NO4S (C16 H23 NO4 S)

Compound Name

ethyl 2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)acetate

IUPAC name

ethyl 2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)acetate

SMILES

CCCCOc(cc1)ccc1NC(CSCC(OCC)=O)=O

InChI

InChI=1S/C16H23NO4S/c1-3-5-10-21-14-8-6-13(7-9-14)17-15(18)11-22-12-16(19)20-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,18)

InChI Key

HTWLZRHWJNVZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01898141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.77

Polar Surface Area

50.964

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3448-0063 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antibacterial Compounds Library (13827 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3448-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-0063?
Check Price and Availability of 3448-0063, 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 3448-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-0063
  • 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 3448-0063 available by request