F084-0774 Screening compound: N~1~-[2-(1-adamantyl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

F084-0774 Screening compound: N~1~-[2-(1-adamantyl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
F084-0774 Screening compound: N~1~-[2-(1-adamantyl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F084-0774
N~1~-[2-(1-adamantyl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)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

F084-0774

Molecular Formula

C26H35N5O2S (C26 H35 N5 O2 S)

Compound Name

N~1~-[2-(1-adamantyl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

IUPAC name

N-[2-(adamantan-1-yl)ethyl]-3-{8-butyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}propanamide

SMILES

CCCCN(c1nnc(CCC(NCCC2(CC(C3)C4)CC4CC3C2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C26H35N5O2S/c1-2-3-9-30-24(33)23-20(6-10-34-23)31-21(28-29-25(30)31)4-5-22(32)27-8-7-26-14-17-11-18(15-26)13-19(12-17)16-26/h6,10,17-19H,2-5,7-9,11-16H2,1H3,(H,27,32)

InChI Key

IIVFAUUPVXVCRO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.66

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

4.258

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-3.91

Polar Surface Area

65.321

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

F084-0774 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F084-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0774?
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What is the minimum amount of F084-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0774
  • 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 F084-0774 available by request