8018-1229 Screening compound: 9,10-dimethyl-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide

8018-1229 Screening compound: 9,10-dimethyl-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide
8018-1229 Screening compound: 9,10-dimethyl-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1229
9,10-dimethyl-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide

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

8018-1229

Molecular Formula

C18H12N4O2 (C18 H12 N4 O2)

Compound Name

9,10-dimethyl-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide

IUPAC name

1415-dimethyl-5-nitro-111-diazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-2(7)35810121416-octaene-9-carbonitrile

SMILES

Cc(c(C)c1)cc2c1nc1n2c(ccc([N+]([O-])=O)c2)c2cc1C#N

InChI

InChI=1S/C18H12N4O2/c1-10-5-15-17(6-11(10)2)21-16-4-3-14(22(23)24)8-12(16)7-13(9-19)18(21)20-15/h3-8H,1-2H3

InChI Key

RAYGHCMFYOXSCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06773889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-5.00

Polar Surface Area

57.992

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8018-1229 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 8018-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1229?
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What is the minimum amount of 8018-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1229
  • 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 8018-1229 available by request