F828-3150 Screening compound: 1-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine

F828-3150 Screening compound: 1-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine
F828-3150 Screening compound: 1-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F828-3150
1-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyrrolidine-1-carbonyl)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

F828-3150

Molecular Formula

C21H27FN4O3S (C21 H27 FN4 O3 S)

Compound Name

1-{[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine

IUPAC name

1-{[1-(4-fluorophenyl)-35-dimethyl-1H-pyrazol-4-yl]sulfonyl}-4-(pyrrolidine-1-carbonyl)piperidine

SMILES

Cc(n(-c(cc1)ccc1F)nc1C)c1S(N(CC1)CCC1C(N1CCCC1)=O)(=O)=O

InChI

InChI=1S/C21H27FN4O3S/c1-15-20(16(2)26(23-15)19-7-5-18(22)6-8-19)30(28,29)25-13-9-17(10-14-25)21(27)24-11-3-4-12-24/h5-8,17H,3-4,9-14H2,1-2H3

InChI Key

GJPYCCGKJJCYLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-2.52

Polar Surface Area

63.382

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

F828-3150 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F828-3150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F828-3150?
Check Price and Availability of F828-3150, 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 F828-3150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F828-3150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F828-3150
  • 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 F828-3150 available by request