C795-0828 Screening compound: N~6~-cycloheptyl-7-(3-methoxybenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

C795-0828 Screening compound: N~6~-cycloheptyl-7-(3-methoxybenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide
C795-0828 Screening compound: N~6~-cycloheptyl-7-(3-methoxybenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0828
N~6~-cycloheptyl-7-(3-methoxybenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-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

C795-0828

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

N~6~-cycloheptyl-7-(3-methoxybenzyl)-2,6-dimethyl-8-oxo-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N-cycloheptyl-10-[(3-methoxyphenyl)methyl]-411-dimethyl-9-oxo-5-oxa-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(Cn1c2cc3c1cc(C)o3)(C(NC1CCCCCC1)=O)N(Cc1cc(OC)ccc1)C2=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

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

5.467

Distribution Coefficient, logD

5.467

Water Solubility, LogSw

-5.28

Polar Surface Area

56.598

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C795-0828 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C795-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0828?
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What is the minimum amount of C795-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0828
  • 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 C795-0828 available by request