C799-0454 Screening compound: N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C799-0454 Screening compound: N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
C799-0454 Screening compound: N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0454
N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-{[4-(methylsulfanyl)phenyl]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

C799-0454

Molecular Formula

C28H33N3O3S (C28 H33 N3 O3 S)

Compound Name

N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

IUPAC name

N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-{[4-(methylsulfanyl)phenyl]methyl}-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-3-carboxamide

SMILES

CC(Cn1c2ccc1-c1ccco1)(C(NC1CCCCCC1)=O)N(Cc(cc1)ccc1SC)C2=O

InChI

InChI=1S/C28H33N3O3S/c1-28(27(33)29-21-8-5-3-4-6-9-21)19-30-23(25-10-7-17-34-25)15-16-24(30)26(32)31(28)18-20-11-13-22(35-2)14-12-20/h7,10-17,21H,3-6,8-9,18-19H2,1-2H3,(H,29,33)/t28-/m0/s1

InChI Key

RVPWVUDNKMVWMT-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14799523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.284

Distribution Coefficient, logD

6.284

Water Solubility, LogSw

-5.32

Polar Surface Area

49.125

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C799-0454 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C799-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0454?
Check Price and Availability of C799-0454, 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 C799-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0454
  • 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 C799-0454 available by request