5451-0167 Screening compound: 6-(1-pyrrolidinyl)-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione

5451-0167 Screening compound: 6-(1-pyrrolidinyl)-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione
5451-0167 Screening compound: 6-(1-pyrrolidinyl)-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0167
6-(1-pyrrolidinyl)-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione

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

5451-0167

Molecular Formula

C19H15N3O2 (C19 H15 N3 O2)

Compound Name

6-(1-pyrrolidinyl)-3H-dibenzo[de,h]cinnoline-3,7(2H)-dione

IUPAC name

10-(pyrrolidin-1-yl)-1516-diazatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2469(17)1012-heptaene-814-dione

SMILES

O=C(c(cccc1)c1C(c1c2cc3)=NNC2=O)c1c3N1CCCC1

InChI

InChI=1S/C19H15N3O2/c23-18-12-6-2-1-5-11(12)17-15-13(19(24)21-20-17)7-8-14(16(15)18)22-9-3-4-10-22/h1-2,5-8H,3-4,9-10H2,(H,21,24)

InChI Key

RRFKZNJWDZHTSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04209218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.318

Distribution Coefficient, logD

2.139

Water Solubility, LogSw

-4.14

Polar Surface Area

52.436

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

10.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5451-0167 in Drug Discovery

Included in Screening Libraries

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

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 5451-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0167?
Check Price and Availability of 5451-0167, 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 5451-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0167
  • 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 5451-0167 available by request