D318-0701 Screening compound: 3,7-diacetyl-1-methyl-5-(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

D318-0701 Screening compound: 3,7-diacetyl-1-methyl-5-(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one
D318-0701 Screening compound: 3,7-diacetyl-1-methyl-5-(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0701
3,7-diacetyl-1-methyl-5-(propan-2-yl)-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

D318-0701

Molecular Formula

C15H24N2O3 (C15 H24 N2 O3)

Compound Name

3,7-diacetyl-1-methyl-5-(propan-2-yl)-3,7-diazabicyclo[3.3.1]nonan-9-one

IUPAC name

37-diacetyl-1-methyl-5-(propan-2-yl)-37-diazabicyclo[3.3.1]nonan-9-one

SMILES

CC(C)C(CN(CC1(C)C2)C(C)=O)(CN2C(C)=O)C1=O

InChI

InChI=1S/C15H24N2O3/c1-10(2)15-8-16(11(3)18)6-14(5,13(15)20)7-17(9-15)12(4)19/h10H,6-9H2,1-5H3

InChI Key

KGMGXSNGJLAMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.838

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-0.56

Polar Surface Area

47.623

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

D318-0701 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D318-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0701?
Check Price and Availability of D318-0701, 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 D318-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0701
  • 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 D318-0701 available by request