S616-1660 Screening compound: 1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-yl}-2-(2-methylphenyl)ethan-1-one

S616-1660 Screening compound: 1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-yl}-2-(2-methylphenyl)ethan-1-one
S616-1660 Screening compound: 1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-yl}-2-(2-methylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S616-1660
1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-yl}-2-(2-methylphenyl)ethan-1-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

S616-1660

Molecular Formula

C16H22N2O3S (C16 H22 N2 O3 S)

Compound Name

1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-yl}-2-(2-methylphenyl)ethan-1-one

IUPAC name

1-[(1S6R)-8-methanesulfonyl-38-diazabicyclo[4.2.0]octan-3-yl]-2-(2-methylphenyl)ethan-1-one

SMILES

Cc1c(CC(N(CC[C@H]2C3)C[C@@H]2N3S(C)(=O)=O)=O)cccc1

InChI

InChI=1S/C16H22N2O3S/c1-12-5-3-4-6-13(12)9-16(19)17-8-7-14-10-18(15(14)11-17)22(2,20)21/h3-6,14-15H,7-11H2,1-2H3/t14-,15+/m1/s1

InChI Key

NRWWVLVHIJVOOO-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-2.25

Polar Surface Area

47.827

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

S616-1660 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S616-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S616-1660?
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What is the minimum amount of S616-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S616-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S616-1660
  • 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 S616-1660 available by request