C160-0027 Screening compound: 2-(2-chloropyridin-3-yl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

C160-0027 Screening compound: 2-(2-chloropyridin-3-yl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione
C160-0027 Screening compound: 2-(2-chloropyridin-3-yl)-4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C160-0027
2-(2-chloropyridin-3-yl)-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

C160-0027

Molecular Formula

C17H10ClN3O2 (C17 H10 ClN3 O2)

Compound Name

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

IUPAC name

2-(2-chloropyridin-3-yl)-4-methyl-1H2H3H-pyrrolo[34-c]quinoline-13-dione

SMILES

Cc1nc2ccccc2c(C(N2c3cccnc3Cl)=O)c1C2=O

InChI

InChI=1S/C17H10ClN3O2/c1-9-13-14(10-5-2-3-6-11(10)20-9)17(23)21(16(13)22)12-7-4-8-19-15(12)18/h2-8H,1H3

InChI Key

FFGRQXZSJPTKJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.91

Polar Surface Area

47.172

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C160-0027 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C160-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C160-0027?
Check Price and Availability of C160-0027, 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 C160-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C160-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C160-0027
  • 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 C160-0027 available by request