C795-1159 Screening compound: ethyl 2-[(4-chlorophenyl)methyl]-3-(cycloheptylcarbamoyl)-3,6,8-trimethyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-7-carboxylate

C795-1159 Screening compound: ethyl 2-[(4-chlorophenyl)methyl]-3-(cycloheptylcarbamoyl)-3,6,8-trimethyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-7-carboxylate
C795-1159 Screening compound: ethyl 2-[(4-chlorophenyl)methyl]-3-(cycloheptylcarbamoyl)-3,6,8-trimethyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1159
ethyl 2-[(4-chlorophenyl)methyl]-3-(cycloheptylcarbamoyl)-3,6,8-trimethyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-7-carboxylate

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

C795-1159

Molecular Formula

C28H36ClN3O4 (C28 H36 ClN3 O4)

Compound Name

ethyl 2-[(4-chlorophenyl)methyl]-3-(cycloheptylcarbamoyl)-3,6,8-trimethyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-7-carboxylate

IUPAC name

ethyl 2-[(4-chlorophenyl)methyl]-3-(cycloheptylcarbamoyl)-368-trimethyl-1-oxo-1H2H3H4H-pyrrolo[12-a]pyrazine-7-carboxylate

SMILES

CCOC(c1c(C)n(CC(C)(C(NC2CCCCCC2)=O)N(Cc(cc2)ccc2Cl)C2=O)c2c1C)=O

InChI

InChI=1S/C28H36ClN3O4/c1-5-36-26(34)23-18(2)24-25(33)32(16-20-12-14-21(29)15-13-20)28(4,17-31(24)19(23)3)27(35)30-22-10-8-6-7-9-11-22/h12-15,22H,5-11,16-17H2,1-4H3,(H,30,35)/t28-/m0/s1

InChI Key

JRCRDIABRRDLAM-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14797238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.804

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-6.15

Polar Surface Area

62.095

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.60

C795-1159 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C795-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1159?
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What is the minimum amount of C795-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1159
  • 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 C795-1159 available by request