D318-0626 Screening compound: 1-ethyl-5-methyl-3,7-bis(4-methylbenzoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

D318-0626 Screening compound: 1-ethyl-5-methyl-3,7-bis(4-methylbenzoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
D318-0626 Screening compound: 1-ethyl-5-methyl-3,7-bis(4-methylbenzoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0626
1-ethyl-5-methyl-3,7-bis(4-methylbenzoyl)-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

D318-0626

Molecular Formula

C26H30N2O3 (C26 H30 N2 O3)

Compound Name

1-ethyl-5-methyl-3,7-bis(4-methylbenzoyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

1-ethyl-5-methyl-37-bis(4-methylbenzoyl)-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

CCC(CN(CC1(C)C2)C(c3ccc(C)cc3)=O)(CN2C(c2ccc(C)cc2)=O)C1=O

InChI

InChI=1S/C26H30N2O3/c1-5-26-16-27(22(29)20-10-6-18(2)7-11-20)14-25(4,24(26)31)15-28(17-26)23(30)21-12-8-19(3)9-13-21/h6-13H,5,14-17H2,1-4H3

InChI Key

YOWJGZMJTVOVLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-3.88

Polar Surface Area

46.144

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with D318-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0626?
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What is the minimum amount of D318-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0626
  • 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 D318-0626 available by request