F084-0784 Screening compound: 4-butyl-1-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F084-0784 Screening compound: 4-butyl-1-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F084-0784 Screening compound: 4-butyl-1-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0784
4-butyl-1-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

F084-0784

Molecular Formula

C26H32N6O2S (C26 H32 N6 O2 S)

Compound Name

4-butyl-1-{3-[4-(2,4-dimethylphenyl)piperazino]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

8-butyl-12-{3-[4-(24-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CCCCN(c1nnc(CCC(N(CC2)CCN2c2c(C)cc(C)cc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C26H32N6O2S/c1-4-5-11-31-25(34)24-21(10-16-35-24)32-22(27-28-26(31)32)8-9-23(33)30-14-12-29(13-15-30)20-7-6-18(2)17-19(20)3/h6-7,10,16-17H,4-5,8-9,11-15H2,1-3H3

InChI Key

PAKDMEHVUYGAIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.16

Polar Surface Area

60.326

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

F084-0784 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F084-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0784?
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What is the minimum amount of F084-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0784
  • 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 F084-0784 available by request