C795-1179 Screening compound: N-cycloheptyl-8-fluoro-2-[(furan-2-yl)methyl]-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

C795-1179 Screening compound: N-cycloheptyl-8-fluoro-2-[(furan-2-yl)methyl]-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
C795-1179 Screening compound: N-cycloheptyl-8-fluoro-2-[(furan-2-yl)methyl]-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1179
N-cycloheptyl-8-fluoro-2-[(furan-2-yl)methyl]-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-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

C795-1179

Molecular Formula

C29H31FN4O3 (C29 H31 FN4 O3)

Compound Name

N-cycloheptyl-8-fluoro-2-[(furan-2-yl)methyl]-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

N-cycloheptyl-8-fluoro-2-[(furan-2-yl)methyl]-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CC(Cn(c(cc1)c2cc1F)c1c2-n2cccc2)(C(NC2CCCCCC2)=O)N(Cc2ccco2)C1=O

InChI

InChI=1S/C29H31FN4O3/c1-29(28(36)31-21-9-4-2-3-5-10-21)19-33-24-13-12-20(30)17-23(24)25(32-14-6-7-15-32)26(33)27(35)34(29)18-22-11-8-16-37-22/h6-8,11-17,21H,2-5,9-10,18-19H2,1H3,(H,31,36)/t29-/m0/s1

InChI Key

RUIITLQVQYXUMZ-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14797251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.030

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-5.43

Polar Surface Area

51.977

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

C795-1179 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C795-1179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1179?
Check Price and Availability of C795-1179, 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 C795-1179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1179
  • 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 C795-1179 available by request