G114-0222 Screening compound: N~1~-(3-methylphenyl)-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide

G114-0222 Screening compound: N~1~-(3-methylphenyl)-3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]propanamide
G114-0222 Screening compound: N~1~-(3-methylphenyl)-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 G114-0222
N~1~-(3-methylphenyl)-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

G114-0222

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CCS(c(cc2CC3)cc(CC4)c2N3C4=O)(=O)=O)=O)c1

InChI

InChI=1S/C21H22N2O4S/c1-14-3-2-4-17(11-14)22-19(24)8-10-28(26,27)18-12-15-5-6-20(25)23-9-7-16(13-18)21(15)23/h2-4,11-13H,5-10H2,1H3,(H,22,24)

InChI Key

GXKUAMSLYXXDAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.07

Polar Surface Area

69.756

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G114-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G114-0222?
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What is the minimum amount of G114-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G114-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G114-0222
  • 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 G114-0222 available by request