C795-1178 Screening compound: N-cycloheptyl-8-fluoro-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

C795-1178 Screening compound: N-cycloheptyl-8-fluoro-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide
C795-1178 Screening compound: N-cycloheptyl-8-fluoro-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-2-[(thiophen-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1178
N-cycloheptyl-8-fluoro-3-methyl-1-oxo-10-(1H-pyrrol-1-yl)-2-[(thiophen-2-yl)methyl]-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

C795-1178

Molecular Formula

C29H31FN4O2S (C29 H31 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn(c(cc1)c2cc1F)c1c2-n2cccc2)(C(NC2CCCCCC2)=O)N(Cc2cccs2)C1=O

InChI

InChI=1S/C29H31FN4O2S/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

AXWIIIAZHSPQLK-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14797250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.433

Distribution Coefficient, logD

6.433

Water Solubility, LogSw

-5.57

Polar Surface Area

45.246

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

C795-1178 in Drug Discovery

Included in Screening Libraries

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 C795-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1178?
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What is the minimum amount of C795-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1178
  • 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 C795-1178 available by request