C160-0022 Screening compound: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

C160-0022 Screening compound: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione
C160-0022 Screening compound: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C160-0022
2-[(3,5-dimethoxyphenyl)methyl]-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

C160-0022

Molecular Formula

C21H18N2O4 (C21 H18 N2 O4)

Compound Name

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

IUPAC name

2-[(35-dimethoxyphenyl)methyl]-4-methyl-1H2H3H-pyrrolo[34-c]quinoline-13-dione

SMILES

Cc1nc2ccccc2c(C(N2Cc3cc(OC)cc(OC)c3)=O)c1C2=O

InChI

InChI=1S/C21H18N2O4/c1-12-18-19(16-6-4-5-7-17(16)22-12)21(25)23(20(18)24)11-13-8-14(26-2)10-15(9-13)27-3/h4-10H,11H2,1-3H3

InChI Key

KKYGOQPHRQSWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.128

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.24

Polar Surface Area

53.486

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C160-0022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C160-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C160-0022?
Check Price and Availability of C160-0022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C160-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C160-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C160-0022
  • 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 C160-0022 available by request