F580-0583 Screening compound: 6-(2-ethylphenyl)-N~7~-(4-fluorobenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-0583 Screening compound: 6-(2-ethylphenyl)-N~7~-(4-fluorobenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-0583 Screening compound: 6-(2-ethylphenyl)-N~7~-(4-fluorobenzyl)-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 F580-0583
6-(2-ethylphenyl)-N~7~-(4-fluorobenzyl)-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

F580-0583

Molecular Formula

C26H24FN3O2S (C26 H24 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1N(C(C)(Cn1c(scc2)c2cc11)C(NCc(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C26H24FN3O2S/c1-3-18-6-4-5-7-21(18)30-23(31)22-14-19-12-13-33-24(19)29(22)16-26(30,2)25(32)28-15-17-8-10-20(27)11-9-17/h4-14H,3,15-16H2,1-2H3,(H,28,32)/t26-/m0/s1

InChI Key

OWURLHBQIUGOOU-SANMLTNESA-N

MDL Number (MFCD)

MFCD27176594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

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

5.133

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.15

Polar Surface Area

40.953

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

F580-0583 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 F580-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-0583?
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What is the minimum amount of F580-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-0583
  • 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 F580-0583 available by request