F580-1676 Screening compound: 6-benzyl-N~7~-cyclohexyl-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide

F580-1676 Screening compound: 6-benzyl-N~7~-cyclohexyl-7-methyl-5-oxo-5,6,7,8-tetrahydrothieno[3',2':4,5]pyrrolo[1,2-a]pyrazine-7-carboxamide
F580-1676 Screening compound: 6-benzyl-N~7~-cyclohexyl-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 F580-1676
6-benzyl-N~7~-cyclohexyl-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

F580-1676

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

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

IUPAC name

10-benzyl-N-cyclohexyl-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(Cc2ccccc2)C1=O

InChI

InChI=1S/C24H27N3O2S/c1-24(23(29)25-19-10-6-3-7-11-19)16-26-20(14-18-12-13-30-22(18)26)21(28)27(24)15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,29)/t24-/m0/s1

InChI Key

LSQSEQLKQNMJAD-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27176754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.128

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-5.16

Polar Surface Area

41.590

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

F580-1676 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 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 F580-1676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F580-1676?
Check Price and Availability of F580-1676, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F580-1676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F580-1676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F580-1676
  • 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 F580-1676 available by request