D318-0678 Screening compound: 3,7-bis(furan-2-carbonyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

D318-0678 Screening compound: 3,7-bis(furan-2-carbonyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one
D318-0678 Screening compound: 3,7-bis(furan-2-carbonyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0678
3,7-bis(furan-2-carbonyl)-1,5-dipropyl-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

D318-0678

Molecular Formula

C23H28N2O5 (C23 H28 N2 O5)

Compound Name

3,7-bis(furan-2-carbonyl)-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

37-bis(furan-2-carbonyl)-15-dipropyl-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

CCCC(CN(CC1(CCC)C2)C(c3ccco3)=O)(CN2C(c2ccco2)=O)C1=O

InChI

InChI=1S/C23H28N2O5/c1-3-9-22-13-24(19(26)17-7-5-11-29-17)15-23(10-4-2,21(22)28)16-25(14-22)20(27)18-8-6-12-30-18/h5-8,11-12H,3-4,9-10,13-16H2,1-2H3

InChI Key

ZGIPVPKYKDCNEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07593524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-3.44

Polar Surface Area

63.300

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

D318-0678 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D318-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0678?
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What is the minimum amount of D318-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0678
  • 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 D318-0678 available by request