F580-0666 Screening compound: N~7~-(4-fluorobenzyl)-6-(2-methoxyphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-0666 Screening compound: N~7~-(4-fluorobenzyl)-6-(2-methoxyphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-0666 Screening compound: N~7~-(4-fluorobenzyl)-6-(2-methoxyphenyl)-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 F580-0666
N~7~-(4-fluorobenzyl)-6-(2-methoxyphenyl)-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

F580-0666

Molecular Formula

C25H22FN3O3S (C25 H22 FN3 O3 S)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-10-(2-methoxyphenyl)-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)ccc2F)=O)N(c(cccc2)c2OC)C1=O

InChI

InChI=1S/C25H22FN3O3S/c1-25(24(31)27-14-16-7-9-18(26)10-8-16)15-28-20(13-17-11-12-33-23(17)28)22(30)29(25)19-5-3-4-6-21(19)32-2/h3-13H,14-15H2,1-2H3,(H,27,31)/t25-/m0/s1

InChI Key

MWKKVLMIWDFDJP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27176626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.192

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.28

Polar Surface Area

48.583

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

F580-0666 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with F580-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-0666?
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What is the minimum amount of F580-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-0666
  • 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 F580-0666 available by request