F580-1934 Screening compound: N~7~-(4-chlorobenzyl)-6-[2-(1-cyclohexenyl)ethyl]-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1934 Screening compound: N~7~-(4-chlorobenzyl)-6-[2-(1-cyclohexenyl)ethyl]-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1934 Screening compound: N~7~-(4-chlorobenzyl)-6-[2-(1-cyclohexenyl)ethyl]-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 F580-1934
N~7~-(4-chlorobenzyl)-6-[2-(1-cyclohexenyl)ethyl]-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

F580-1934

Molecular Formula

C26H28ClN3O2S (C26 H28 ClN3 O2 S)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-10-[2-(cyclohex-1-en-1-yl)ethyl]-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(cc2)ccc2Cl)=O)N(CCC2=CCCCC2)C1=O

InChI

InChI=1S/C26H28ClN3O2S/c1-26(25(32)28-16-19-7-9-21(27)10-8-19)17-29-22(15-20-12-14-33-24(20)29)23(31)30(26)13-11-18-5-3-2-4-6-18/h5,7-10,12,14-15H,2-4,6,11,13,16-17H2,1H3,(H,28,32)/t26-/m0/s1

InChI Key

RNPPGVRLZWNDDS-SANMLTNESA-N

MDL Number (MFCD)

MFCD27176807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.719

Distribution Coefficient, logD

5.719

Water Solubility, LogSw

-5.83

Polar Surface Area

42.036

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

F580-1934 in Drug Discovery

Included in Screening Libraries

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 F580-1934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1934?
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What is the minimum amount of F580-1934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1934
  • 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 F580-1934 available by request