F368-0521 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]propanamide

F368-0521 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]propanamide
F368-0521 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F368-0521
3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]propanamide

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

F368-0521

Molecular Formula

C29H29N3O4 (C29 H29 N3 O4)

Compound Name

3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]propanamide

IUPAC name

3-[3-(2H-13-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-[2-(4-ethoxyphenyl)ethyl]propanamide

SMILES

CCOc1ccc(CCNC(CCc2cn(-c3ccccc3)nc2-c(cc2)cc3c2OCO3)=O)cc1

InChI

InChI=1S/C29H29N3O4/c1-2-34-25-12-8-21(9-13-25)16-17-30-28(33)15-11-23-19-32(24-6-4-3-5-7-24)31-29(23)22-10-14-26-27(18-22)36-20-35-26/h3-10,12-14,18-19H,2,11,15-17,20H2,1H3,(H,30,33)

InChI Key

OFVCQFOWQZSKIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.724

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.31

Polar Surface Area

63.152

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

F368-0521 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F368-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F368-0521?
Check Price and Availability of F368-0521, 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 F368-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F368-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F368-0521
  • 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 F368-0521 available by request