F580-1532 Screening compound: N~7~-cyclopentyl-6-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1532 Screening compound: N~7~-cyclopentyl-6-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1532 Screening compound: N~7~-cyclopentyl-6-(2,4-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 F580-1532
N~7~-cyclopentyl-6-(2,4-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

F580-1532

Molecular Formula

C24H27N3O4S (C24 H27 N3 O4 S)

Compound Name

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

IUPAC name

N-cyclopentyl-10-(24-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(NC2CCCC2)=O)N(c(ccc(OC)c2)c2OC)C1=O

InChI

InChI=1S/C24H27N3O4S/c1-24(23(29)25-16-6-4-5-7-16)14-26-19(12-15-10-11-32-22(15)26)21(28)27(24)18-9-8-17(30-2)13-20(18)31-3/h8-13,16H,4-7,14H2,1-3H3,(H,25,29)/t24-/m0/s1

InChI Key

ZKEHONHLPCQPDS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27176716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

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

4.293

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.38

Polar Surface Area

56.218

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

F580-1532 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

KRAS-Targeted Library (16000 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F580-1532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1532?
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What is the minimum amount of F580-1532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1532
  • 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 F580-1532 available by request