S213-1662 Screening compound: 3-chloro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide

S213-1662 Screening compound: 3-chloro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide
S213-1662 Screening compound: 3-chloro-N-methyl-N-[(oxolan-3-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-1662
3-chloro-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

S213-1662

Molecular Formula

C12H16ClNO3S (C12 H16 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1COCC1)S(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C12H16ClNO3S/c1-14(8-10-5-6-17-9-10)18(15,16)12-4-2-3-11(13)7-12/h2-4,7,10H,5-6,8-9H2,1H3/t10-/m1/s1

InChI Key

CDLUVDXGVLRWSM-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30462364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.78

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

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-3.09

Polar Surface Area

41.767

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S213-1662 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S213-1662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-1662?
Check Price and Availability of S213-1662, 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 S213-1662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-1662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-1662
  • 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 S213-1662 available by request