P809-0750 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3,4,5-triethoxybenzamide

P809-0750 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3,4,5-triethoxybenzamide
P809-0750 Screening compound: N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-0750
N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3,4,5-triethoxybenzamide

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

P809-0750

Molecular Formula

C26H31ClN4O4 (C26 H31 ClN4 O4)

Compound Name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3,4,5-triethoxybenzamide

IUPAC name

N-{1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-345-triethoxybenzamide

SMILES

CCOc1cc(C(NC(CC2)CN2c2cc(-c(cc3)ccc3Cl)n[nH]2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H31ClN4O4/c1-4-33-22-13-18(14-23(34-5-2)25(22)35-6-3)26(32)28-20-11-12-31(16-20)24-15-21(29-30-24)17-7-9-19(27)10-8-17/h7-10,13-15,20H,4-6,11-12,16H2,1-3H3,(H,28,32)(H,29,30)/t20-/m1/s1

InChI Key

NYPXPCRDNRPWQF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD28997635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

4.916

Water Solubility, LogSw

-5.08

Polar Surface Area

71.607

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

P809-0750 in Drug Discovery

Included in Screening Libraries

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 P809-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-0750?
Check Price and Availability of P809-0750, 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 P809-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-0750
  • 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 P809-0750 available by request