F580-1693 Screening compound: N~7~-cyclohexyl-6-(3,5-dimethoxyphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1693 Screening compound: N~7~-cyclohexyl-6-(3,5-dimethoxyphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1693 Screening compound: N~7~-cyclohexyl-6-(3,5-dimethoxyphenyl)-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 F580-1693
N~7~-cyclohexyl-6-(3,5-dimethoxyphenyl)-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

F580-1693

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

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

IUPAC name

N-cyclohexyl-10-(35-dimethoxyphenyl)-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(NC2CCCCC2)=O)N(c2cc(OC)cc(OC)c2)C1=O

InChI

InChI=1S/C25H29N3O4S/c1-25(24(30)26-17-7-5-4-6-8-17)15-27-21(11-16-9-10-33-23(16)27)22(29)28(25)18-12-19(31-2)14-20(13-18)32-3/h9-14,17H,4-8,15H2,1-3H3,(H,26,30)/t25-/m0/s1

InChI Key

XWUHNDIZAZUJOY-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27176759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.062

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-4.87

Polar Surface Area

56.067

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

F580-1693 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 F580-1693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1693?
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What is the minimum amount of F580-1693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1693
  • 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 F580-1693 available by request