F368-0472 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-cyclohexylpropanamide

F368-0472 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-cyclohexylpropanamide
F368-0472 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-cyclohexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F368-0472
3-[3-(2H-1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]-N-cyclohexylpropanamide

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

F368-0472

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCO2)NC1CCCCC1

InChI

InChI=1S/C25H27N3O3/c29-24(26-20-7-3-1-4-8-20)14-12-19-16-28(21-9-5-2-6-10-21)27-25(19)18-11-13-22-23(15-18)31-17-30-22/h2,5-6,9-11,13,15-16,20H,1,3-4,7-8,12,14,17H2,(H,26,29)

InChI Key

PUHBGKMDDHZSAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.73

Polar Surface Area

55.912

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F368-0472 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F368-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F368-0472?
Check Price and Availability of F368-0472, 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 F368-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F368-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F368-0472
  • 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 F368-0472 available by request