S213-1612 Screening compound: 4-fluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

S213-1612 Screening compound: 4-fluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide
S213-1612 Screening compound: 4-fluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1612
4-fluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

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

S213-1612

Molecular Formula

C12H16FNO3S (C12 H16 FNO3 S)

Compound Name

4-fluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

IUPAC name

4-fluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

SMILES

CN(CC1COCC1)S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C12H16FNO3S/c1-14(8-10-6-7-17-9-10)18(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9H2,1H3/t10-/m1/s1

InChI Key

ZMKXBDNTNCWTKP-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30462344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.899

Distribution Coefficient, logD

1.899

Water Solubility, LogSw

-2.43

Polar Surface Area

41.767

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S213-1612 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with S213-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1612?
Check Price and Availability of S213-1612, 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 S213-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1612
  • 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 S213-1612 available by request