F580-0492 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N~7~-(2-methoxybenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-0492 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N~7~-(2-methoxybenzyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-0492 Screening compound: 6-(3-chloro-4-methoxyphenyl)-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 F580-0492
6-(3-chloro-4-methoxyphenyl)-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

F580-0492

Molecular Formula

C26H24ClN3O4S (C26 H24 ClN3 O4 S)

Compound Name

6-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-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

CC(Cn1c(scc2)c2cc11)(C(NCc(cccc2)c2OC)=O)N(c(cc2)cc(Cl)c2OC)C1=O

InChI

InChI=1S/C26H24ClN3O4S/c1-26(25(32)28-14-17-6-4-5-7-21(17)33-2)15-29-20(12-16-10-11-35-24(16)29)23(31)30(26)18-8-9-22(34-3)19(27)13-18/h4-13H,14-15H2,1-3H3,(H,28,32)/t26-/m0/s1

InChI Key

CFIIPHYOSLIQAJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD27176575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-5.01

Polar Surface Area

56.514

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

F580-0492 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 F580-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-0492?
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What is the minimum amount of F580-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-0492
  • 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 F580-0492 available by request