6583-0028 Screening compound: 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide

6583-0028 Screening compound: 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
6583-0028 Screening compound: 3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6583-0028
3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide

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

6583-0028

Molecular Formula

C22H35NO2 (C22 H35 NO2)

Compound Name

3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide

IUPAC name

3-(22-dimethyloxan-4-yl)-3-phenyl-NN-dipropylpropanamide

SMILES

CCCN(CCC)C(CC(C1CC(C)(C)OCC1)c1ccccc1)=O

InChI

InChI=1S/C22H35NO2/c1-5-13-23(14-6-2)21(24)16-20(18-10-8-7-9-11-18)19-12-15-25-22(3,4)17-19/h7-11,19-20H,5-6,12-17H2,1-4H3

InChI Key

XQPCADCBGDOLFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03267191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.754

Distribution Coefficient, logD

4.754

Water Solubility, LogSw

-4.46

Polar Surface Area

23.270

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.20

6583-0028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with 6583-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6583-0028?
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What is the minimum amount of 6583-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6583-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6583-0028
  • 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 6583-0028 available by request