8008-0525 Screening compound: N-(4-butoxyphenyl)-2-sulfanylacetamide

8008-0525 Screening compound: N-(4-butoxyphenyl)-2-sulfanylacetamide
8008-0525 Screening compound: N-(4-butoxyphenyl)-2-sulfanylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0525
N-(4-butoxyphenyl)-2-sulfanylacetamide

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

8008-0525

Molecular Formula

C12H17NO2S (C12 H17 NO2 S)

Compound Name

N-(4-butoxyphenyl)-2-sulfanylacetamide

IUPAC name

N-(4-butoxyphenyl)-2-sulfanylacetamide

SMILES

CCCCOc(cc1)ccc1NC(CS)=O

InChI

InChI=1S/C12H17NO2S/c1-2-3-8-15-11-6-4-10(5-7-11)13-12(14)9-16/h4-7,16H,2-3,8-9H2,1H3,(H,13,14)

InChI Key

RWONAIVTHXLGQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00448407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.41

Polar Surface Area

30.805

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

8008-0525 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0525?
Check Price and Availability of 8008-0525, 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 8008-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0525
  • 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 8008-0525 available by request