5979-0128 Screening compound: 1-[1-(4-methoxybenzoyl)piperidine-3-carbonyl]azepane

5979-0128 Screening compound: 1-[1-(4-methoxybenzoyl)piperidine-3-carbonyl]azepane
5979-0128 Screening compound: 1-[1-(4-methoxybenzoyl)piperidine-3-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 5979-0128
1-[1-(4-methoxybenzoyl)piperidine-3-carbonyl]azepane

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

5979-0128

Molecular Formula

C20H28N2O3 (C20 H28 N2 O3)

Compound Name

1-[1-(4-methoxybenzoyl)piperidine-3-carbonyl]azepane

IUPAC name

1-[1-(4-methoxybenzoyl)piperidine-3-carbonyl]azepane

SMILES

COc(cc1)ccc1C(N(CCC1)CC1C(N1CCCCCC1)=O)=O

InChI

InChI=1S/C20H28N2O3/c1-25-18-10-8-16(9-11-18)19(23)22-14-6-7-17(15-22)20(24)21-12-4-2-3-5-13-21/h8-11,17H,2-7,12-15H2,1H3/t17-/m0/s1

InChI Key

SFNLEQTVDYCSEZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03615696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.46

Polar Surface Area

41.343

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

5979-0128 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5979-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5979-0128?
Check Price and Availability of 5979-0128, 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 5979-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5979-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5979-0128
  • 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 5979-0128 available by request