G114-0010 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide

G114-0010 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide
G114-0010 Screening compound: N~1~-[2-(1-cyclohexenyl)ethyl]-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G114-0010
N~1~-[2-(1-cyclohexenyl)ethyl]-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide

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

G114-0010

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

N~1~-[2-(1-cyclohexenyl)ethyl]-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-({11-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-trien-6-yl}sulfonyl)propanamide

SMILES

O=C(CCS(c(cc1CC2)cc(CC3)c1N2C3=O)(=O)=O)NCCC1=CCCCC1

InChI

InChI=1S/C22H28N2O4S/c25-20(23-11-8-16-4-2-1-3-5-16)10-13-29(27,28)19-14-17-6-7-21(26)24-12-9-18(15-19)22(17)24/h4,14-15H,1-3,5-13H2,(H,23,25)

InChI Key

XRQQHAWBVNQJGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.61

Polar Surface Area

71.111

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

G114-0010 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G114-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G114-0010?
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What is the minimum amount of G114-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G114-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G114-0010
  • 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 G114-0010 available by request