S616-1534 Screening compound: 3-[(2,4-dimethylphenyl)methyl]-8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octane

S616-1534 Screening compound: 3-[(2,4-dimethylphenyl)methyl]-8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octane
S616-1534 Screening compound: 3-[(2,4-dimethylphenyl)methyl]-8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound S616-1534
3-[(2,4-dimethylphenyl)methyl]-8-methanesulfonyl-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

S616-1534

Molecular Formula

C16H24N2O2S (C16 H24 N2 O2 S)

Compound Name

3-[(2,4-dimethylphenyl)methyl]-8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octane

IUPAC name

(1S6R)-3-[(24-dimethylphenyl)methyl]-8-methanesulfonyl-38-diazabicyclo[4.2.0]octane

SMILES

Cc1cc(C)c(CN(CC[C@H]2C3)C[C@@H]2N3S(C)(=O)=O)cc1

InChI

InChI=1S/C16H24N2O2S/c1-12-4-5-14(13(2)8-12)9-17-7-6-15-10-18(16(15)11-17)21(3,19)20/h4-5,8,15-16H,6-7,9-11H2,1-3H3/t15-,16+/m1/s1

InChI Key

NKJPNXCIOWRTEP-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.59

Polar Surface Area

35.439

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S616-1534 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S616-1534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S616-1534?
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What is the minimum amount of S616-1534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S616-1534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S616-1534
  • 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 S616-1534 available by request