F580-1336 Screening compound: N~7~-benzyl-7-methyl-6-(2-methylbenzyl)-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1336 Screening compound: N~7~-benzyl-7-methyl-6-(2-methylbenzyl)-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1336 Screening compound: N~7~-benzyl-7-methyl-6-(2-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 F580-1336
N~7~-benzyl-7-methyl-6-(2-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

F580-1336

Molecular Formula

C26H25N3O2S (C26 H25 N3 O2 S)

Compound Name

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

IUPAC name

N-benzyl-11-methyl-10-[(2-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(NCc2ccccc2)=O)N(Cc2c(C)cccc2)C1=O

InChI

InChI=1S/C26H25N3O2S/c1-18-8-6-7-11-21(18)16-29-23(30)22-14-20-12-13-32-24(20)28(22)17-26(29,2)25(31)27-15-19-9-4-3-5-10-19/h3-14H,15-17H2,1-2H3,(H,27,31)/t26-/m0/s1

InChI Key

OPXPYASFFQUVDZ-SANMLTNESA-N

MDL Number (MFCD)

MFCD27176671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.388

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.56

Polar Surface Area

41.865

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

F580-1336 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 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 F580-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1336?
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What is the minimum amount of F580-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1336
  • 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 F580-1336 available by request