F580-1924 Screening compound: N~7~-(4-chlorobenzyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1924 Screening compound: N~7~-(4-chlorobenzyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1924 Screening compound: N~7~-(4-chlorobenzyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F580-1924
N~7~-(4-chlorobenzyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

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

F580-1924

Molecular Formula

C21H22ClN3O3S (C21 H22 ClN3 O3 S)

Compound Name

N~7~-(4-chlorobenzyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-10-(2-methoxyethyl)-11-methyl-9-oxo-3-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)47-triene-11-carboxamide

SMILES

CC(Cn1c(scc2)c2cc11)(C(NCc(cc2)ccc2Cl)=O)N(CCOC)C1=O

InChI

InChI=1S/C21H22ClN3O3S/c1-21(20(27)23-12-14-3-5-16(22)6-4-14)13-24-17(11-15-7-10-29-19(15)24)18(26)25(21)8-9-28-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,23,27)/t21-/m0/s1

InChI Key

ZEYWVMUYJQPTMJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27176804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.97

Polar Surface Area

50.458

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

F580-1924 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F580-1924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1924?
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What is the minimum amount of F580-1924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1924
  • 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 F580-1924 available by request