D522-0127 Screening compound: 1-(2-fluorophenyl)-4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperazine

D522-0127 Screening compound: 1-(2-fluorophenyl)-4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperazine
D522-0127 Screening compound: 1-(2-fluorophenyl)-4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D522-0127
1-(2-fluorophenyl)-4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperazine

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

D522-0127

Molecular Formula

C16H16F4N4O (C16 H16 F4 N4 O)

Compound Name

1-(2-fluorophenyl)-4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperazine

IUPAC name

1-(2-fluorophenyl)-4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperazine

SMILES

Cn(c(C(F)(F)F)c1)nc1C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C16H16F4N4O/c1-22-14(16(18,19)20)10-12(21-22)15(25)24-8-6-23(7-9-24)13-5-3-2-4-11(13)17/h2-5,10H,6-9H2,1H3

InChI Key

VXWHLUCHQNMSRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18485885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

2.509

Water Solubility, LogSw

-2.60

Polar Surface Area

33.362

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D522-0127 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D522-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D522-0127?
Check Price and Availability of D522-0127, 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 D522-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D522-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D522-0127
  • 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 D522-0127 available by request