F580-0473 Screening compound: 6-(3-ethylphenyl)-N~7~-(2-methoxybenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-0473 Screening compound: 6-(3-ethylphenyl)-N~7~-(2-methoxybenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-0473 Screening compound: 6-(3-ethylphenyl)-N~7~-(2-methoxybenzyl)-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 F580-0473
6-(3-ethylphenyl)-N~7~-(2-methoxybenzyl)-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

F580-0473

Molecular Formula

C27H27N3O3S (C27 H27 N3 O3 S)

Compound Name

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

IUPAC name

10-(3-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-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(NCc(cccc3)c3OC)=O)C2=O)c1

InChI

InChI=1S/C27H27N3O3S/c1-4-18-8-7-10-21(14-18)30-24(31)22-15-19-12-13-34-25(19)29(22)17-27(30,2)26(32)28-16-20-9-5-6-11-23(20)33-3/h5-15H,4,16-17H2,1-3H3,(H,28,32)/t27-/m0/s1

InChI Key

XJTOGTSJVKWHPB-MHZLTWQESA-N

MDL Number (MFCD)

MFCD27176572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

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

5.414

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-5.69

Polar Surface Area

48.884

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

F580-0473 in Drug Discovery

Included in Screening Libraries

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

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 F580-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-0473?
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What is the minimum amount of F580-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-0473
  • 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 F580-0473 available by request