6186-3302 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-methoxybenzoate

6186-3302 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-methoxybenzoate
6186-3302 Screening compound: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3302
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-methoxybenzoate

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

6186-3302

Molecular Formula

C22H19NO5 (C22 H19 NO5)

Compound Name

4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-methoxybenzoate

IUPAC name

91111-trimethyl-23-dioxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)9-tetraen-6-yl 3-methoxybenzoate

SMILES

CC(C)(C=C(C)c1cc(OC(c2cc(OC)ccc2)=O)cc(C2=O)c11)N1C2=O

InChI

InChI=1S/C22H19NO5/c1-12-11-22(2,3)23-18-16(12)9-15(10-17(18)19(24)20(23)25)28-21(26)13-6-5-7-14(8-13)27-4/h5-11H,1-4H3

InChI Key

UDIPDPBZXQXVJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03266951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-4.03

Polar Surface Area

57.761

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6186-3302 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 6186-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3302?
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What is the minimum amount of 6186-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3302
  • 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 6186-3302 available by request