F580-1285 Screening compound: N~7~-benzyl-6-(3-ethylphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1285 Screening compound: N~7~-benzyl-6-(3-ethylphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1285 Screening compound: N~7~-benzyl-6-(3-ethylphenyl)-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 F580-1285
N~7~-benzyl-6-(3-ethylphenyl)-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

F580-1285

Molecular Formula

C26H25N3O2S (C26 H25 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(N(C(C)(Cn2c(scc3)c3cc22)C(NCc3ccccc3)=O)C2=O)c1

InChI

InChI=1S/C26H25N3O2S/c1-3-18-10-7-11-21(14-18)29-23(30)22-15-20-12-13-32-24(20)28(22)17-26(29,2)25(31)27-16-19-8-5-4-6-9-19/h4-15H,3,16-17H2,1-2H3,(H,27,31)/t26-/m0/s1

InChI Key

GYIYYQXGJFXPCU-SANMLTNESA-N

MDL Number (MFCD)

MFCD27176665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.36

Polar Surface Area

41.254

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

F580-1285 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F580-1285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1285?
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What is the minimum amount of F580-1285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1285
  • 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 F580-1285 available by request