P939-5533 Screening compound: 1-(2,5-difluorobenzenesulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine

P939-5533 Screening compound: 1-(2,5-difluorobenzenesulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine
P939-5533 Screening compound: 1-(2,5-difluorobenzenesulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P939-5533
1-(2,5-difluorobenzenesulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine

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

P939-5533

Molecular Formula

C16H20F2N4O2S (C16 H20 F2 N4 O2 S)

Compound Name

1-(2,5-difluorobenzenesulfonyl)-4-[3-(propan-2-yl)-4H-1,2,4-triazol-4-yl]piperidine

IUPAC name

1-(25-difluorobenzenesulfonyl)-4-[3-(propan-2-yl)-4H-124-triazol-4-yl]piperidine

SMILES

CC(C)c1nncn1C(CC1)CCN1S(c(cc(cc1)F)c1F)(=O)=O

InChI

InChI=1S/C16H20F2N4O2S/c1-11(2)16-20-19-10-22(16)13-5-7-21(8-6-13)25(23,24)15-9-12(17)3-4-14(15)18/h3-4,9-11,13H,5-8H2,1-2H3

InChI Key

WEMCWXUVAQGCLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29001108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.68

Polar Surface Area

56.406

Acid Dissociation Constant (pKa)

20.06

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P939-5533 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P939-5533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P939-5533?
Check Price and Availability of P939-5533, 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 P939-5533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P939-5533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P939-5533
  • 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 P939-5533 available by request