C160-0065 Screening compound: methyl 4-methyl-3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

C160-0065 Screening compound: methyl 4-methyl-3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate
C160-0065 Screening compound: methyl 4-methyl-3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C160-0065
methyl 4-methyl-3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

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

C160-0065

Molecular Formula

C21H16N2O4 (C21 H16 N2 O4)

Compound Name

methyl 4-methyl-3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

IUPAC name

methyl 4-methyl-3-{4-methyl-13-dioxo-1H2H3H-pyrrolo[34-c]quinolin-2-yl}benzoate

SMILES

Cc(ccc(C(OC)=O)c1)c1N(C(c1c2c3ccccc3nc1C)=O)C2=O

InChI

InChI=1S/C21H16N2O4/c1-11-8-9-13(21(26)27-3)10-16(11)23-19(24)17-12(2)22-15-7-5-4-6-14(15)18(17)20(23)25/h4-10H,1-3H3

InChI Key

ZLSXCVVMRPYAMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.28

Polar Surface Area

58.660

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C160-0065 in Drug Discovery

Included in Screening Libraries

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 C160-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C160-0065?
Check Price and Availability of C160-0065, 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 C160-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C160-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C160-0065
  • 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 C160-0065 available by request