G114-0188 Screening compound: 3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-N~1~-[4-(trifluoromethoxy)phenyl]propanamide

G114-0188 Screening compound: 3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-N~1~-[4-(trifluoromethoxy)phenyl]propanamide
G114-0188 Screening compound: 3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-N~1~-[4-(trifluoromethoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G114-0188
3-[(4-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl)sulfonyl]-N~1~-[4-(trifluoromethoxy)phenyl]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

G114-0188

Molecular Formula

C21H19F3N2O5S (C21 H19 F3 N2 O5 S)

Compound Name

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

IUPAC name

3-({11-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-trien-6-yl}sulfonyl)-N-[4-(trifluoromethoxy)phenyl]propanamide

SMILES

O=C(CCS(c(cc1CC2)cc(CC3)c1N2C3=O)(=O)=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C21H19F3N2O5S/c22-21(23,24)31-16-4-2-15(3-5-16)25-18(27)8-10-32(29,30)17-11-13-1-6-19(28)26-9-7-14(12-17)20(13)26/h2-5,11-12H,1,6-10H2,(H,25,27)

InChI Key

AYBQJGXJBSCMTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.45

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

3.475

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-4.03

Polar Surface Area

75.692

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G114-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G114-0188?
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What is the minimum amount of G114-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G114-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G114-0188
  • 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 G114-0188 available by request