F580-0521 Screening compound: 6-(2-ethoxybenzyl)-N~7~-(2-methoxybenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-0521 Screening compound: 6-(2-ethoxybenzyl)-N~7~-(2-methoxybenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-0521 Screening compound: 6-(2-ethoxybenzyl)-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 F580-0521
6-(2-ethoxybenzyl)-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

F580-0521

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

6-(2-ethoxybenzyl)-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-[(2-ethoxyphenyl)methyl]-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

CCOc1c(CN(C(C)(Cn2c(scc3)c3cc22)C(NCc(cccc3)c3OC)=O)C2=O)cccc1

InChI

InChI=1S/C28H29N3O4S/c1-4-35-24-12-8-6-10-21(24)17-31-25(32)22-15-19-13-14-36-26(19)30(22)18-28(31,2)27(33)29-16-20-9-5-7-11-23(20)34-3/h5-15H,4,16-18H2,1-3H3,(H,29,33)/t28-/m0/s1

InChI Key

PWVMIJQIJWSLTA-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD27176579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.43

Polar Surface Area

56.706

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

F580-0521 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 F580-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-0521?
Check Price and Availability of F580-0521, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F580-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-0521
  • 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 F580-0521 available by request