5163-0057 Screening compound: 3,7-bis(4-methoxybenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

5163-0057 Screening compound: 3,7-bis(4-methoxybenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
5163-0057 Screening compound: 3,7-bis(4-methoxybenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5163-0057
3,7-bis(4-methoxybenzoyl)-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

5163-0057

Molecular Formula

C25H28N2O5 (C25 H28 N2 O5)

Compound Name

3,7-bis(4-methoxybenzoyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

37-bis(4-methoxybenzoyl)-15-dimethyl-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

CC(CN(CC1(C)C2)C(c(cc3)ccc3OC)=O)(CN2C(c(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C25H28N2O5/c1-24-13-26(21(28)17-5-9-19(31-3)10-6-17)15-25(2,23(24)30)16-27(14-24)22(29)18-7-11-20(32-4)12-8-18/h5-12H,13-16H2,1-4H3

InChI Key

DTOCSANSBFGDOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03297173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.672

Distribution Coefficient, logD

2.672

Water Solubility, LogSw

-2.75

Polar Surface Area

61.231

Acid Dissociation Constant (pKa)

29.19

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5163-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5163-0057?
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What is the minimum amount of 5163-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5163-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5163-0057
  • 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 5163-0057 available by request