S213-1642 Screening compound: 3,5-difluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

S213-1642 Screening compound: 3,5-difluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide
S213-1642 Screening compound: 3,5-difluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1642
3,5-difluoro-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

S213-1642

Molecular Formula

C12H15F2NO3S (C12 H15 F2 NO3 S)

Compound Name

3,5-difluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

IUPAC name

35-difluoro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

SMILES

CN(CC1COCC1)S(c1cc(F)cc(F)c1)(=O)=O

InChI

InChI=1S/C12H15F2NO3S/c1-15(7-9-2-3-18-8-9)19(16,17)12-5-10(13)4-11(14)6-12/h4-6,9H,2-3,7-8H2,1H3/t9-/m1/s1

InChI Key

ITKZQUFWSYNKGM-SECBINFHSA-N

MDL Number (MFCD)

MFCD30462358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.32

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

2.121

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-2.29

Polar Surface Area

41.767

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S213-1642 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S213-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1642?
Check Price and Availability of S213-1642, 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 S213-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1642
  • 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 S213-1642 available by request