D442-0243 Screening compound: N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[1-(thiophen-2-yl)ethyl]propanamide

D442-0243 Screening compound: N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[1-(thiophen-2-yl)ethyl]propanamide
D442-0243 Screening compound: N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[1-(thiophen-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D442-0243
N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[1-(thiophen-2-yl)ethyl]propanamide

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

D442-0243

Molecular Formula

C21H35NO2S (C21 H35 NO2 S)

Compound Name

N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[1-(thiophen-2-yl)ethyl]propanamide

IUPAC name

N-{2-[22-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[1-(thiophen-2-yl)ethyl]propanamide

SMILES

CCC(N(CCC1(CC(C)(C)OCC1)C(C)C)C(C)c1cccs1)=O

InChI

InChI=1S/C21H35NO2S/c1-7-19(23)22(17(4)18-9-8-14-25-18)12-10-21(16(2)3)11-13-24-20(5,6)15-21/h8-9,14,16-17H,7,10-13,15H2,1-6H3

InChI Key

GLYFRAIVXQXWND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05682544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.806

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.42

Polar Surface Area

23.674

Acid Dissociation Constant (pKa)

24.10

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

76.20

D442-0243 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D442-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D442-0243?
Check Price and Availability of D442-0243, 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 D442-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D442-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D442-0243
  • 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 D442-0243 available by request