G114-0140 Screening compound: N~1~-(3-methoxybenzyl)-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide

G114-0140 Screening compound: N~1~-(3-methoxybenzyl)-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide
G114-0140 Screening compound: N~1~-(3-methoxybenzyl)-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 G114-0140
N~1~-(3-methoxybenzyl)-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

G114-0140

Molecular Formula

C22H24N2O5S (C22 H24 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CNC(CCS(c(cc2CC3)cc(CC4)c2N3C4=O)(=O)=O)=O)c1

InChI

InChI=1S/C22H24N2O5S/c1-29-18-4-2-3-15(11-18)14-23-20(25)8-10-30(27,28)19-12-16-5-6-21(26)24-9-7-17(13-19)22(16)24/h2-4,11-13H,5-10,14H2,1H3,(H,23,25)

InChI Key

TXKOVAKTTALJPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-2.76

Polar Surface Area

78.621

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G114-0140 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G114-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G114-0140?
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What is the minimum amount of G114-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G114-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G114-0140
  • 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 G114-0140 available by request