8018-1224 Screening compound: 2-morpholino-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide

8018-1224 Screening compound: 2-morpholino-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide
8018-1224 Screening compound: 2-morpholino-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1224
2-morpholino-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

8018-1224

Molecular Formula

C20H15N5O3 (C20 H15 N5 O3)

Compound Name

2-morpholino-3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide

IUPAC name

4-(morpholin-4-yl)-5-nitro-111-diazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-246810121416-octaene-9-carbonitrile

SMILES

N#Cc(c1nc(cccc2)c2n1c1c2)cc1cc([N+]([O-])=O)c2N1CCOCC1

InChI

InChI=1S/C20H15N5O3/c21-12-14-9-13-10-19(25(26)27)18(23-5-7-28-8-6-23)11-17(13)24-16-4-2-1-3-15(16)22-20(14)24/h1-4,9-11H,5-8H2

InChI Key

ZOBFNHIJODBMHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-4.12

Polar Surface Area

68.752

Acid Dissociation Constant (pKa)

27.83

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8018-1224 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8018-1224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1224?
Check Price and Availability of 8018-1224, 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 8018-1224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1224
  • 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 8018-1224 available by request