3888-1237 Screening compound: 5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

3888-1237 Screening compound: 5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
3888-1237 Screening compound: 5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-1237
5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

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

3888-1237

Molecular Formula

C17H19NO2S (C17 H19 NO2 S)

Compound Name

5,6-dimethyl-2-[2-(methylsulfanyl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

56-dimethyl-2-[2-(methylsulfanyl)phenyl]-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

CC(CC1C(N2c(cccc3)c3SC)=O)=C(C)CC1C2=O

InChI

InChI=1S/C17H19NO2S/c1-10-8-12-13(9-11(10)2)17(20)18(16(12)19)14-6-4-5-7-15(14)21-3/h4-7,12-13H,8-9H2,1-3H3

InChI Key

SMKCSAZTWGTXAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-3.14

Polar Surface Area

28.771

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-8.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 3888-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-1237?
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What is the minimum amount of 3888-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-1237
  • 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 3888-1237 available by request