8017-8397 Screening compound: 3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide

8017-8397 Screening compound: 3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide
8017-8397 Screening compound: 3-nitro[1,3]benzimidazo[1,2-a]quinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8397
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

8017-8397

Molecular Formula

C16H8N4O2 (C16 H8 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cc(cc(cc2)[N+]([O-])=O)c2n2c1nc1c2cccc1

InChI

InChI=1S/C16H8N4O2/c17-9-11-7-10-8-12(20(21)22)5-6-14(10)19-15-4-2-1-3-13(15)18-16(11)19/h1-8H

InChI Key

BEGOIWGBIIJBQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.27

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

3.791

Distribution Coefficient, logD

3.791

Water Solubility, LogSw

-4.30

Polar Surface Area

57.992

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-8397 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 8017-8397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8397?
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What is the minimum amount of 8017-8397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8397
  • 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 8017-8397 available by request