G401-0098 Screening compound: N~8~-(4-isopropylphenyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

G401-0098 Screening compound: N~8~-(4-isopropylphenyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
G401-0098 Screening compound: N~8~-(4-isopropylphenyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G401-0098
N~8~-(4-isopropylphenyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

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

G401-0098

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

N~8~-(4-isopropylphenyl)-4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide

IUPAC name

11-oxo-N-[4-(propan-2-yl)phenyl]-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)57-triene-6-sulfonamide

SMILES

CC(C)c(cc1)ccc1NS(c(cc1CC2)cc(CC3)c1N2C3=O)(=O)=O

InChI

InChI=1S/C20H22N2O3S/c1-13(2)14-3-6-17(7-4-14)21-26(24,25)18-11-15-5-8-19(23)22-10-9-16(12-18)20(15)22/h3-4,6-7,11-13,21H,5,8-10H2,1-2H3

InChI Key

LPUPGPCOCRXDDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07715114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.17

Polar Surface Area

58.491

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G401-0098 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G401-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G401-0098?
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What is the minimum amount of G401-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G401-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G401-0098
  • 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 G401-0098 available by request