D414-0199 Screening compound: methyl 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

D414-0199 Screening compound: methyl 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
D414-0199 Screening compound: methyl 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D414-0199
methyl 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

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

D414-0199

Molecular Formula

C16H12F3N3O3 (C16 H12 F3 N3 O3)

Compound Name

methyl 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

IUPAC name

methyl 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-3-carboxylate

SMILES

COC(c(cnn1c(C(F)(F)F)c2)c1nc2-c1cc(OC)ccc1)=O

InChI

InChI=1S/C16H12F3N3O3/c1-24-10-5-3-4-9(6-10)12-7-13(16(17,18)19)22-14(21-12)11(8-20-22)15(23)25-2/h3-8H,1-2H3

InChI Key

PBQJMOZTXALAEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-4.05

Polar Surface Area

47.885

Acid Dissociation Constant (pKa)

32.39

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D414-0199 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with D414-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D414-0199?
Check Price and Availability of D414-0199, 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 D414-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D414-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D414-0199
  • 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 D414-0199 available by request