F084-0159 Screening compound: N~1~-(4-chlorophenethyl)-3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide

F084-0159 Screening compound: N~1~-(4-chlorophenethyl)-3-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
F084-0159 Screening compound: N~1~-(4-chlorophenethyl)-3-(4-ethyl-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 F084-0159
N~1~-(4-chlorophenethyl)-3-(4-ethyl-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

F084-0159

Molecular Formula

C20H20ClN5O2S (C20 H20 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c1nnc(CCC(NCCc(cc2)ccc2Cl)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C20H20ClN5O2S/c1-2-25-19(28)18-15(10-12-29-18)26-16(23-24-20(25)26)7-8-17(27)22-11-9-13-3-5-14(21)6-4-13/h3-6,10,12H,2,7-9,11H2,1H3,(H,22,27)

InChI Key

BPUDJLGJJNXVJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.179

Water Solubility, LogSw

-3.14

Polar Surface Area

65.034

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F084-0159 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F084-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F084-0159?
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What is the minimum amount of F084-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F084-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F084-0159
  • 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 F084-0159 available by request