S616-0001 Screening compound: 8-benzyl-3,8-diazabicyclo[4.2.0]octane

S616-0001 Screening compound: 8-benzyl-3,8-diazabicyclo[4.2.0]octane
S616-0001 Screening compound: 8-benzyl-3,8-diazabicyclo[4.2.0]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound S616-0001
8-benzyl-3,8-diazabicyclo[4.2.0]octane

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

S616-0001

Molecular Formula

C13H18N2 (C13 H18 N2)

Compound Name

8-benzyl-3,8-diazabicyclo[4.2.0]octane

IUPAC name

(1S6R)-8-benzyl-38-diazabicyclo[4.2.0]octane

SMILES

C(c1ccccc1)N(C1)[C@@H]2[C@H]1CCNC2

InChI

InChI=1S/C13H18N2/c1-2-4-11(5-3-1)9-15-10-12-6-7-14-8-13(12)15/h1-5,12-14H,6-10H2/t12-,13+/m1/s1

InChI Key

BLCVYHKAZCBAKF-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

202.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

0.939

Distribution Coefficient, logD

-1.645

Water Solubility, LogSw

-1.26

Polar Surface Area

15.503

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.85

S616-0001 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with S616-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S616-0001?
Check Price and Availability of S616-0001, 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 S616-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S616-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S616-0001
  • 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 S616-0001 available by request