F084-0754 Screening compound: 1-[3-(4-benzylpiperazino)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F084-0754 Screening compound: 1-[3-(4-benzylpiperazino)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F084-0754 Screening compound: 1-[3-(4-benzylpiperazino)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0754
1-[3-(4-benzylpiperazino)-3-oxopropyl]-4-butylthieno[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

F084-0754

Molecular Formula

C25H30N6O2S (C25 H30 N6 O2 S)

Compound Name

1-[3-(4-benzylpiperazino)-3-oxopropyl]-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

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

SMILES

CCCCN(c1nnc(CCC(N2CCN(Cc3ccccc3)CC2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C25H30N6O2S/c1-2-3-12-30-24(33)23-20(11-17-34-23)31-21(26-27-25(30)31)9-10-22(32)29-15-13-28(14-16-29)18-19-7-5-4-6-8-19/h4-8,11,17H,2-3,9-10,12-16,18H2,1H3

InChI Key

LGFRRLPAQLJOSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-2.87

Polar Surface Area

60.908

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

F084-0754 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 F084-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0754?
Check Price and Availability of F084-0754, 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 F084-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0754
  • 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 F084-0754 available by request