0658-0177 Screening compound: 11-chloro-7-oxo-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid

0658-0177 Screening compound: 11-chloro-7-oxo-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid
0658-0177 Screening compound: 11-chloro-7-oxo-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0658-0177
11-chloro-7-oxo-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid

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

0658-0177

Molecular Formula

C20H9ClN2O5 (C20 H9 ClN2 O5)

Compound Name

11-chloro-7-oxo-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid

IUPAC name

6-chloro-11-oxo-310-diazapentacyclo[10.7.1.0^{210}.0^{49}.0^{1620}]icosa-1(20)246812141618-nonaene-1517-dicarboxylic acid

SMILES

OC(c(c1c(cc2)C(O)=O)ccc(-c3nc(cc(cc4)Cl)c4n33)c1c2C3=O)=O

InChI

InChI=1S/C20H9ClN2O5/c21-8-1-6-14-13(7-8)22-17-9-2-4-11(19(25)26)16-12(20(27)28)5-3-10(15(9)16)18(24)23(14)17/h1-7H,(H,25,26)(H,27,28)

InChI Key

UINNSXHKUBEPCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-4.11

Polar Surface Area

80.755

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0658-0177 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0658-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0658-0177?
Check Price and Availability of 0658-0177, 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 0658-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0658-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0658-0177
  • 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 0658-0177 available by request