F523-0796 Screening compound: N-[(4-butoxyphenyl)methyl]-2-[4-(1-phenyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide

F523-0796 Screening compound: N-[(4-butoxyphenyl)methyl]-2-[4-(1-phenyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
F523-0796 Screening compound: N-[(4-butoxyphenyl)methyl]-2-[4-(1-phenyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F523-0796
N-[(4-butoxyphenyl)methyl]-2-[4-(1-phenyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-1-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

F523-0796

Molecular Formula

C27H32N4O2 (C27 H32 N4 O2)

Compound Name

N-[(4-butoxyphenyl)methyl]-2-[4-(1-phenyl-1H-pyrazol-4-yl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide

IUPAC name

N-[(4-butoxyphenyl)methyl]-2-[4-(1-phenyl-1H-pyrazol-4-yl)-1236-tetrahydropyridin-1-yl]acetamide

SMILES

CCCCOc1ccc(CNC(CN(CC2)CC=C2c2cn(-c3ccccc3)nc2)=O)cc1

InChI

InChI=1S/C27H32N4O2/c1-2-3-17-33-26-11-9-22(10-12-26)18-28-27(32)21-30-15-13-23(14-16-30)24-19-29-31(20-24)25-7-5-4-6-8-25/h4-13,19-20H,2-3,14-18,21H2,1H3,(H,28,32)

InChI Key

XQRAKEVKABURAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

5.250

Water Solubility, LogSw

-4.95

Polar Surface Area

49.946

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F523-0796 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F523-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F523-0796?
Check Price and Availability of F523-0796, 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 F523-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F523-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F523-0796
  • 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 F523-0796 available by request