6145-0733 Screening compound: allyl 5,14-dioxo-5,14-dihydrobenzo[5,6]indolo[1,2-b]isoquinoline-13-carboxylate

6145-0733 Screening compound: allyl 5,14-dioxo-5,14-dihydrobenzo[5,6]indolo[1,2-b]isoquinoline-13-carboxylate
6145-0733 Screening compound: allyl 5,14-dioxo-5,14-dihydrobenzo[5,6]indolo[1,2-b]isoquinoline-13-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0733
allyl 5,14-dioxo-5,14-dihydrobenzo[5,6]indolo[1,2-b]isoquinoline-13-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

6145-0733

Molecular Formula

C24H15NO4 (C24 H15 NO4)

Compound Name

allyl 5,14-dioxo-5,14-dihydrobenzo[5,6]indolo[1,2-b]isoquinoline-13-carboxylate

IUPAC name

prop-2-en-1-yl 310-dioxo-1-azapentacyclo[11.8.0.0^{211}.0^{49}.0^{1520}]henicosa-2(11)4681214161820-nonaene-12-carboxylate

SMILES

C=CCOC(c1c(cc(cccc2)c2c2)n2c(C(c2c3cccc2)=O)c1C3=O)=O

InChI

InChI=1S/C24H15NO4/c1-2-11-29-24(28)19-18-12-14-7-3-4-8-15(14)13-25(18)21-20(19)22(26)16-9-5-6-10-17(16)23(21)27/h2-10,12-13H,1,11H2

InChI Key

YQXHCUSIKMJHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04505801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.245

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.71

Polar Surface Area

47.482

Acid Dissociation Constant (pKa)

33.72

Base Dissociation Constant (pKb)

-7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

6145-0733 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6145-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0733?
Check Price and Availability of 6145-0733, 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 6145-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0733
  • 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 6145-0733 available by request