6145-0719 Screening compound: 2-methoxyethyl 6,11-dioxo-2-(4-pyridyl)-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate

6145-0719 Screening compound: 2-methoxyethyl 6,11-dioxo-2-(4-pyridyl)-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate
6145-0719 Screening compound: 2-methoxyethyl 6,11-dioxo-2-(4-pyridyl)-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0719
2-methoxyethyl 6,11-dioxo-2-(4-pyridyl)-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate

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

6145-0719

Molecular Formula

C25H18N2O5 (C25 H18 N2 O5)

Compound Name

2-methoxyethyl 6,11-dioxo-2-(4-pyridyl)-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylate

IUPAC name

2-methoxyethyl 29-dioxo-14-(pyridin-4-yl)-11-azatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)357121416-heptaene-17-carboxylate

SMILES

COCCOC(c1c(cc(cc2)-c3ccncc3)n2c(C(c2c3cccc2)=O)c1C3=O)=O

InChI

InChI=1S/C25H18N2O5/c1-31-12-13-32-25(30)20-19-14-16(15-6-9-26-10-7-15)8-11-27(19)22-21(20)23(28)17-4-2-3-5-18(17)24(22)29/h2-11,14H,12-13H2,1H3

InChI Key

PXWPSNVGWBMNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08163527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.17

Polar Surface Area

64.733

Acid Dissociation Constant (pKa)

29.23

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

6145-0719 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 6145-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0719?
Check Price and Availability of 6145-0719, 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 6145-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0719
  • 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 6145-0719 available by request