S301-1012 Screening compound: 1-[7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-4-phenyl-1-butanone

S301-1012 Screening compound: 1-[7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-4-phenyl-1-butanone
S301-1012 Screening compound: 1-[7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-4-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S301-1012
1-[7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-4-phenyl-1-butanone

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

S301-1012

Molecular Formula

C19H28N2O3 (C19 H28 N2 O3)

Compound Name

1-[7-(2-methoxyethyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]-4-phenyl-1-butanone

IUPAC name

n/a

SMILES

COCCN(C1)CC(C2)OC1CN2C(CCCc1ccccc1)=O

InChI

InChI=1S/C19H28N2O3/c1-23-11-10-20-12-17-14-21(15-18(13-20)24-17)19(22)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3

InChI Key

VGSKEIKVYNBHPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-1.70

Polar Surface Area

34.694

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.20

S301-1012 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S301-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S301-1012?
Check Price and Availability of S301-1012, 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 S301-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S301-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S301-1012
  • 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 S301-1012 available by request