C537-0766 Screening compound: ethyl 4-{1-[(4-methylcyclohexyl)carbamoyl]-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}benzoate

C537-0766 Screening compound: ethyl 4-{1-[(4-methylcyclohexyl)carbamoyl]-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}benzoate
C537-0766 Screening compound: ethyl 4-{1-[(4-methylcyclohexyl)carbamoyl]-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C537-0766
ethyl 4-{1-[(4-methylcyclohexyl)carbamoyl]-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}benzoate

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

C537-0766

Molecular Formula

C24H29N3O4 (C24 H29 N3 O4)

Compound Name

ethyl 4-{1-[(4-methylcyclohexyl)carbamoyl]-3-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-2-yl}benzoate

IUPAC name

ethyl 4-{1-[(4-methylcyclohexyl)carbamoyl]-3-oxo-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(NC1CCC(C)CC1)=O)c1cccn1C1)C1=O)=O

InChI

InChI=1S/C24H29N3O4/c1-3-31-24(30)17-8-12-19(13-9-17)27-21(28)15-26-14-4-5-20(26)22(27)23(29)25-18-10-6-16(2)7-11-18/h4-5,8-9,12-14,16,18,22H,3,6-7,10-11,15H2,1-2H3,(H,25,29)/t16?,18?,22-/m1/s1

InChI Key

WNBTXIKDWJFEGV-CWZMJNCASA-N

MDL Number (MFCD)

MFCD26965099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-4.14

Polar Surface Area

62.914

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C537-0766 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 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 C537-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C537-0766?
Check Price and Availability of C537-0766, 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 C537-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C537-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C537-0766
  • 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 C537-0766 available by request