3209-0045 Screening compound: 2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate

3209-0045 Screening compound: 2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate
3209-0045 Screening compound: 2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0045
2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate

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

3209-0045

Molecular Formula

C25H25F3N4O5S (C25 H25 F3 N4 O5 S)

Compound Name

2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-amido]thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c2nn(C(CC(c3ccccc3)N3)C(F)(F)F)c3c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C25H25F3N4O5S/c1-4-36-23(34)19-13(3)20(24(35)37-5-2)38-22(19)30-21(33)16-12-18-29-15(14-9-7-6-8-10-14)11-17(25(26,27)28)32(18)31-16/h6-10,12,15,17,29H,4-5,11H2,1-3H3,(H,30,33)

InChI Key

XMRZXKJNASBDSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01922289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-5.10

Polar Surface Area

92.159

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

3209-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3209-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0045?
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What is the minimum amount of 3209-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0045
  • 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 3209-0045 available by request