F580-1404 Screening compound: N~7~-(2-methoxyethyl)-7-methyl-6-(3-methylbenzyl)-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1404 Screening compound: N~7~-(2-methoxyethyl)-7-methyl-6-(3-methylbenzyl)-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1404 Screening compound: N~7~-(2-methoxyethyl)-7-methyl-6-(3-methylbenzyl)-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 F580-1404
N~7~-(2-methoxyethyl)-7-methyl-6-(3-methylbenzyl)-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

F580-1404

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

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

IUPAC name

N-(2-methoxyethyl)-11-methyl-10-[(3-methylphenyl)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(NCCOC)=O)N(Cc2cc(C)ccc2)C1=O

InChI

InChI=1S/C22H25N3O3S/c1-15-5-4-6-16(11-15)13-25-19(26)18-12-17-7-10-29-20(17)24(18)14-22(25,2)21(27)23-8-9-28-3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,23,27)/t22-/m0/s1

InChI Key

FUYIXTHQJUDXDU-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27176691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

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

3.909

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-3.97

Polar Surface Area

50.321

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

F580-1404 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 F580-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1404?
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What is the minimum amount of F580-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1404
  • 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 F580-1404 available by request