C160-0061 Screening compound: 2-(2-acetyl-4,5-dimethoxyphenyl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

C160-0061 Screening compound: 2-(2-acetyl-4,5-dimethoxyphenyl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione
C160-0061 Screening compound: 2-(2-acetyl-4,5-dimethoxyphenyl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C160-0061
2-(2-acetyl-4,5-dimethoxyphenyl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

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

C160-0061

Molecular Formula

C22H18N2O5 (C22 H18 N2 O5)

Compound Name

2-(2-acetyl-4,5-dimethoxyphenyl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

IUPAC name

2-(2-acetyl-45-dimethoxyphenyl)-4-methyl-1H2H3H-pyrrolo[34-c]quinoline-13-dione

SMILES

CC(c(cc(c(OC)c1)OC)c1N(C(c1c2c3ccccc3nc1C)=O)C2=O)=O

InChI

InChI=1S/C22H18N2O5/c1-11-19-20(13-7-5-6-8-15(13)23-11)22(27)24(21(19)26)16-10-18(29-4)17(28-3)9-14(16)12(2)25/h5-10H,1-4H3

InChI Key

LNSMUPBLPPYBAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

2.232

Water Solubility, LogSw

-2.84

Polar Surface Area

66.574

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C160-0061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C160-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C160-0061?
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What is the minimum amount of C160-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C160-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C160-0061
  • 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 C160-0061 available by request