P809-0974 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide

P809-0974 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide
P809-0974 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-0974
2-(2-chloro-6-fluorophenyl)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide

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

P809-0974

Molecular Formula

C21H19ClF2N4O (C21 H19 ClF2 N4 O)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}acetamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)NC(CC1)CN1c1cc(-c(cc2)ccc2F)n[nH]1

InChI

InChI=1S/C21H19ClF2N4O/c22-17-2-1-3-18(24)16(17)10-21(29)25-15-8-9-28(12-15)20-11-19(26-27-20)13-4-6-14(23)7-5-13/h1-7,11,15H,8-10,12H2,(H,25,29)(H,26,27)/t15-/m0/s1

InChI Key

RQABMOHTTRSRSB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28997824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

4.263

Water Solubility, LogSw

-4.47

Polar Surface Area

49.677

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

P809-0974 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P809-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-0974?
Check Price and Availability of P809-0974, 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 P809-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-0974
  • 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 P809-0974 available by request