F084-0285 Screening compound: 3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(1-methyl-3-phenylpropyl)propanamide

F084-0285 Screening compound: 3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(1-methyl-3-phenylpropyl)propanamide
F084-0285 Screening compound: 3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(1-methyl-3-phenylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0285
3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(1-methyl-3-phenylpropyl)propanamide

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

F084-0285

Molecular Formula

C24H29N5O2S (C24 H29 N5 O2 S)

Compound Name

3-(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-(1-methyl-3-phenylpropyl)propanamide

IUPAC name

3-[8-(2-methylpropyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]-N-(4-phenylbutan-2-yl)propanamide

SMILES

CC(C)CN(c1nnc(CCC(NC(C)CCc2ccccc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C24H29N5O2S/c1-16(2)15-28-23(31)22-19(13-14-32-22)29-20(26-27-24(28)29)11-12-21(30)25-17(3)9-10-18-7-5-4-6-8-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3,(H,25,30)/t17-/m0/s1

InChI Key

TUHOYMIVCWCJCX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27100665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.01

Polar Surface Area

64.909

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

F084-0285 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F084-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0285?
Check Price and Availability of F084-0285, 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 F084-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0285
  • 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 F084-0285 available by request