D522-0118 Screening compound: methyl 4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-amido]benzoate

D522-0118 Screening compound: methyl 4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-amido]benzoate
D522-0118 Screening compound: methyl 4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D522-0118
methyl 4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-amido]benzoate

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

D522-0118

Molecular Formula

C14H12F3N3O3 (C14 H12 F3 N3 O3)

Compound Name

methyl 4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-amido]benzoate

IUPAC name

methyl 4-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-amido]benzoate

SMILES

Cn(c(C(F)(F)F)c1)nc1C(Nc(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C14H12F3N3O3/c1-20-11(14(15,16)17)7-10(19-20)12(21)18-9-5-3-8(4-6-9)13(22)23-2/h3-7H,1-2H3,(H,18,21)

InChI Key

YNFAQVPGDKBGMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-3.11

Polar Surface Area

58.019

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

D522-0118 in Drug Discovery

Included in Screening Libraries

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 D522-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D522-0118?
Check Price and Availability of D522-0118, 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 D522-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D522-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D522-0118
  • 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 D522-0118 available by request