5871-0664 Screening compound: 12-(2-methylphenyl)-11H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindole-11,13(12H)-dione

5871-0664 Screening compound: 12-(2-methylphenyl)-11H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindole-11,13(12H)-dione
5871-0664 Screening compound: 12-(2-methylphenyl)-11H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindole-11,13(12H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5871-0664
12-(2-methylphenyl)-11H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindole-11,13(12H)-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

5871-0664

Molecular Formula

C27H17NO4 (C27 H17 NO4)

Compound Name

12-(2-methylphenyl)-11H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindole-11,13(12H)-dione

IUPAC name

20-(2-methylphenyl)-215-dioxa-20-azapentacyclo[14.7.0.0^{38}.0^{914}.0^{1822}]tricosa-1(16)3579(14)10121722-nonaene-1921-dione

SMILES

Cc(cccc1)c1N(C(c1c2cc3Oc(cccc4)c4-c(cccc4)c4Oc3c1)=O)C2=O

InChI

InChI=1S/C27H17NO4/c1-16-8-2-5-11-21(16)28-26(29)19-14-24-25(15-20(19)27(28)30)32-23-13-7-4-10-18(23)17-9-3-6-12-22(17)31-24/h2-15H,1H3

InChI Key

KXILVXUNPFJTRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03630709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.815

Distribution Coefficient, logD

6.815

Water Solubility, LogSw

-5.93

Polar Surface Area

42.378

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

5871-0664 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5871-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-0664?
Check Price and Availability of 5871-0664, 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 5871-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-0664
  • 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 5871-0664 available by request