K502-0786 Screening compound: ethyl 2-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5-dimethylthiophene-3-carboxylate

K502-0786 Screening compound: ethyl 2-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5-dimethylthiophene-3-carboxylate
K502-0786 Screening compound: ethyl 2-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K502-0786
ethyl 2-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5-dimethylthiophene-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

K502-0786

Molecular Formula

C23H18BrF3N4O3S (C23 H18 BrF3 N4 O3 S)

Compound Name

ethyl 2-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-amido]-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Br)=O)sc(C)c1C)=O

InChI

InChI=1S/C23H18BrF3N4O3S/c1-4-34-22(33)16-11(2)12(3)35-21(16)29-20(32)18-17(24)19-28-14(13-8-6-5-7-9-13)10-15(23(25,26)27)31(19)30-18/h5-10H,4H2,1-3H3,(H,29,32)

InChI Key

GSJSMAINROOWSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01243819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.189

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-5.53

Polar Surface Area

63.354

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K502-0786 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K502-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K502-0786?
Check Price and Availability of K502-0786, 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 K502-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K502-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K502-0786
  • 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 K502-0786 available by request