C537-1091 Screening compound: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide

C537-1091 Screening compound: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide
C537-1091 Screening compound: 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C537-1091
2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-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

C537-1091

Molecular Formula

C22H26ClN3O2 (C22 H26 ClN3 O2)

Compound Name

2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-1-carboxamide

IUPAC name

2-(4-chlorophenyl)-N-(23-dimethylcyclohexyl)-3-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-1-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(c1cccn1CC1=O)N1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H26ClN3O2/c1-14-5-3-6-18(15(14)2)24-22(28)21-19-7-4-12-25(19)13-20(27)26(21)17-10-8-16(23)9-11-17/h4,7-12,14-15,18,21H,3,5-6,13H2,1-2H3,(H,24,28)

InChI Key

PTEJBUFRIDUPTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.95

Polar Surface Area

42.551

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.50

C537-1091 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 C537-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C537-1091?
Check Price and Availability of C537-1091, 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 C537-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C537-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C537-1091
  • 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 C537-1091 available by request