1187-1971 Screening compound: 11-cyano-7-oxo-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid

1187-1971 Screening compound: 11-cyano-7-oxo-7H-[1,3]benzimidazo[2,1-a]benzo[de]isoquinoline-3,4-dicarboxylic acid
1187-1971 Screening compound: 11-cyano-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 1187-1971
11-cyano-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

1187-1971

Molecular Formula

C21H9N3O5 (C21 H9 N3 O5)

Compound Name

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

IUPAC name

6-cyano-11-oxo-310-diazapentacyclo[10.7.1.0^{210}.0^{49}.0^{1620}]icosa-1(20)24(9)5712141618-nonaene-1517-dicarboxylic acid

SMILES

N#Cc(cc1)cc(nc2-c(cc3)c(c4ccc5C(O)=O)c5c3C(O)=O)c1n2C4=O

InChI

InChI=1S/C21H9N3O5/c22-8-9-1-6-15-14(7-9)23-18-10-2-4-12(20(26)27)17-13(21(28)29)5-3-11(16(10)17)19(25)24(15)18/h1-7H,(H,26,27)(H,28,29)

InChI Key

RITWSFBPSKGAGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

0.148

Water Solubility, LogSw

-3.45

Polar Surface Area

97.811

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1187-1971 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1187-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1971?
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What is the minimum amount of 1187-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1971
  • 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 1187-1971 available by request