6058-0023 Screening compound: 3,7-dihexanoyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

6058-0023 Screening compound: 3,7-dihexanoyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
6058-0023 Screening compound: 3,7-dihexanoyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6058-0023
3,7-dihexanoyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

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

6058-0023

Molecular Formula

C21H36N2O3 (C21 H36 N2 O3)

Compound Name

3,7-dihexanoyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

37-dihexanoyl-15-dimethyl-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

CCCCCC(N(CC1(C)CN(C2)C(CCCCC)=O)CC2(C)C1=O)=O

InChI

InChI=1S/C21H36N2O3/c1-5-7-9-11-17(24)22-13-20(3)15-23(18(25)12-10-8-6-2)16-21(4,14-22)19(20)26/h5-16H2,1-4H3

InChI Key

OOTYCKUCDSBCGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03294427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.905

Distribution Coefficient, logD

3.905

Water Solubility, LogSw

-3.62

Polar Surface Area

45.632

Acid Dissociation Constant (pKa)

24.21

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.70

6058-0023 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6058-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6058-0023?
Check Price and Availability of 6058-0023, 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 6058-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6058-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6058-0023
  • 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 6058-0023 available by request