8019-0955 Screening compound: N-{1,1,1,3,3,3-hexafluoro-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl}-3-phenylpropanamide

8019-0955 Screening compound: N-{1,1,1,3,3,3-hexafluoro-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl}-3-phenylpropanamide
8019-0955 Screening compound: N-{1,1,1,3,3,3-hexafluoro-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0955
N-{1,1,1,3,3,3-hexafluoro-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl}-3-phenylpropanamide

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

8019-0955

Molecular Formula

C22H20F6N4O (C22 H20 F6 N4 O)

Compound Name

N-{1,1,1,3,3,3-hexafluoro-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl}-3-phenylpropanamide

IUPAC name

N-{111333-hexafluoro-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propan-2-yl}-3-phenylpropanamide

SMILES

Cc(cc1NC(C(F)(F)F)(C(F)(F)F)NC(CCc2ccccc2)=O)nn1-c1ccccc1

InChI

InChI=1S/C22H20F6N4O/c1-15-14-18(32(31-15)17-10-6-3-7-11-17)29-20(21(23,24)25,22(26,27)28)30-19(33)13-12-16-8-4-2-5-9-16/h2-11,14,29H,12-13H2,1H3,(H,30,33)

InChI Key

MAVCUJZYCCCHAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03301674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

0.957

Water Solubility, LogSw

-4.62

Polar Surface Area

47.555

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8019-0955 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 8019-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0955?
Check Price and Availability of 8019-0955, 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 8019-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0955
  • 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 8019-0955 available by request