C795-0980 Screening compound: N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C795-0980 Screening compound: N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
C795-0980 Screening compound: N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0980
N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-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

C795-0980

Molecular Formula

C30H44N4O3 (C30 H44 N4 O3)

Compound Name

N-cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

IUPAC name

N-cycloheptyl-2-[3-(35-dimethylpiperidin-1-yl)propyl]-6-(furan-2-yl)-3-methyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide

SMILES

CC1CN(CCCN(C(C)(Cn2c3ccc2-c2ccco2)C(NC2CCCCCC2)=O)C3=O)CC(C)C1

InChI

InChI=1S/C30H44N4O3/c1-22-18-23(2)20-32(19-22)15-9-16-34-28(35)26-14-13-25(27-12-8-17-37-27)33(26)21-30(34,3)29(36)31-24-10-6-4-5-7-11-24/h8,12-14,17,22-24H,4-7,9-11,15-16,18-21H2,1-3H3,(H,31,36)

InChI Key

NOLXMBAQGGRIEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-5.24

Polar Surface Area

52.953

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.70

C795-0980 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C795-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0980?
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What is the minimum amount of C795-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0980
  • 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 C795-0980 available by request