3502-0559 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[(oxolan-2-yl)methyl]benzamide

3502-0559 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[(oxolan-2-yl)methyl]benzamide
3502-0559 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3502-0559
2-methoxy-4-(methylsulfanyl)-N-[(oxolan-2-yl)methyl]benzamide

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

3502-0559

Molecular Formula

C14H19NO3S (C14 H19 NO3 S)

Compound Name

2-methoxy-4-(methylsulfanyl)-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

2-methoxy-4-(methylsulfanyl)-N-[(oxolan-2-yl)methyl]benzamide

SMILES

COc(cc(cc1)SC)c1C(NCC1OCCC1)=O

InChI

InChI=1S/C14H19NO3S/c1-17-13-8-11(19-2)5-6-12(13)14(16)15-9-10-4-3-7-18-10/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,15,16)/t10-/m1/s1

InChI Key

KIPZBFYFBKGCRJ-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02218659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-2.87

Polar Surface Area

40.936

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3502-0559 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3502-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3502-0559?
Check Price and Availability of 3502-0559, 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 3502-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3502-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3502-0559
  • 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 3502-0559 available by request