P970-0339 Screening compound: 3-cyano-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide

P970-0339 Screening compound: 3-cyano-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide
P970-0339 Screening compound: 3-cyano-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-0339
3-cyano-N-[(oxan-4-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

P970-0339

Molecular Formula

C13H16N2O3S (C13 H16 N2 O3 S)

Compound Name

3-cyano-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide

IUPAC name

3-cyano-N-[(oxan-4-yl)methyl]benzene-1-sulfonamide

SMILES

N#Cc1cccc(S(NCC2CCOCC2)(=O)=O)c1

InChI

InChI=1S/C13H16N2O3S/c14-9-12-2-1-3-13(8-12)19(16,17)15-10-11-4-6-18-7-5-11/h1-3,8,11,15H,4-7,10H2

InChI Key

LYEXAXBSSAEHRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19449686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.743

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-2.51

Polar Surface Area

67.154

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

P970-0339 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P970-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-0339?
Check Price and Availability of P970-0339, 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 P970-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-0339
  • 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 P970-0339 available by request