F084-0330 Screening compound: 1-[3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-4-piperidinecarboxamide

F084-0330 Screening compound: 1-[3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-4-piperidinecarboxamide
F084-0330 Screening compound: 1-[3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0330
1-[3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-4-piperidinecarboxamide

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

F084-0330

Molecular Formula

C20H26N6O3S (C20 H26 N6 O3 S)

Compound Name

1-[3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-4-piperidinecarboxamide

IUPAC name

1-{3-[8-(2-methylpropyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]propanoyl}piperidine-4-carboxamide

SMILES

CC(C)CN(c1nnc(CCC(N(CC2)CCC2C(N)=O)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C20H26N6O3S/c1-12(2)11-25-19(29)17-14(7-10-30-17)26-15(22-23-20(25)26)3-4-16(27)24-8-5-13(6-9-24)18(21)28/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H2,21,28)

InChI Key

XHXICMYWLUJAGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.724

Distribution Coefficient, logD

0.724

Water Solubility, LogSw

-1.83

Polar Surface Area

91.448

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

F084-0330 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F084-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0330?
Check Price and Availability of F084-0330, 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 F084-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0330
  • 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 F084-0330 available by request