P876-0121 Screening compound: 1-[(3,5-DIFLUOROPHENYL)SULFONYL]-4-[3-(2-PYRIDYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE

P876-0121 Screening compound: 1-[(3,5-DIFLUOROPHENYL)SULFONYL]-4-[3-(2-PYRIDYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE
P876-0121 Screening compound: 1-[(3,5-DIFLUOROPHENYL)SULFONYL]-4-[3-(2-PYRIDYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE alternative view

Chemical Structure Depiction of ChemDiv screening compound P876-0121
1-[(3,5-DIFLUOROPHENYL)SULFONYL]-4-[3-(2-PYRIDYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE

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

P876-0121

Molecular Formula

C19H19F2N5O2S (C19 H19 F2 N5 O2 S)

Compound Name

1-[(3,5-DIFLUOROPHENYL)SULFONYL]-4-[3-(2-PYRIDYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPANE

IUPAC name

1-(35-difluorobenzenesulfonyl)-4-[3-(pyridin-2-yl)-1H-pyrazol-5-yl]-14-diazepane

SMILES

O=S(c1cc(F)cc(F)c1)(N(CCC1)CCN1c1cc(-c2ncccc2)n[nH]1)=O

InChI

InChI=1S/C19H19F2N5O2S/c20-14-10-15(21)12-16(11-14)29(27,28)26-7-3-6-25(8-9-26)19-13-18(23-24-19)17-4-1-2-5-22-17/h1-2,4-5,10-13H,3,6-9H2,(H,23,24)

InChI Key

BCXCLYSIJPLHMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.872

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.34

Polar Surface Area

66.542

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

P876-0121 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P876-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P876-0121?
Check Price and Availability of P876-0121, 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 P876-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P876-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P876-0121
  • 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 P876-0121 available by request