8004-8803 Screening compound: 2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate

8004-8803 Screening compound: 2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate
8004-8803 Screening compound: 2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-amido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8803
2,4-diethyl 3-methyl-5-[5-phenyl-7-(trifluoromethyl)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

8004-8803

Molecular Formula

C25H21F3N4O5S (C25 H21 F3 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NC(c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C25H21F3N4O5S/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/h6-12H,4-5H2,1-3H3,(H,30,33)

InChI Key

BDLCZXIRFZGWOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.491

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-5.48

Polar Surface Area

82.790

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8004-8803 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8004-8803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8803?
Check Price and Availability of 8004-8803, 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 8004-8803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8803
  • 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 8004-8803 available by request