C537-0819 Screening compound: N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide

C537-0819 Screening compound: N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide
C537-0819 Screening compound: N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C537-0819
N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-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

C537-0819

Molecular Formula

C24H31N3O2S (C24 H31 N3 O2 S)

Compound Name

N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide

IUPAC name

N-(4-methylcyclohexyl)-2-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-1-carboxamide

SMILES

CC(CC1)CCC1NC(C(c1cccn1C1)N(CCc(cc2)ccc2SC)C1=O)=O

InChI

InChI=1S/C24H31N3O2S/c1-17-5-9-19(10-6-17)25-24(29)23-21-4-3-14-26(21)16-22(28)27(23)15-13-18-7-11-20(30-2)12-8-18/h3-4,7-8,11-12,14,17,19,23H,5-6,9-10,13,15-16H2,1-2H3,(H,25,29)/t17?,19?,23-/m1/s1

InChI Key

FWSJUQMBSKYXTO-MCSCQSGASA-N

MDL Number (MFCD)

MFCD14768733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-4.46

Polar Surface Area

42.751

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C537-0819 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C537-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C537-0819?
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What is the minimum amount of C537-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C537-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C537-0819
  • 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 C537-0819 available by request