5871-0666 Screening compound: 12-(4-methylphenyl)-11H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindole-11,13(12H)-dione

5871-0666 Screening compound: 12-(4-methylphenyl)-11H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindole-11,13(12H)-dione
5871-0666 Screening compound: 12-(4-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 5871-0666
12-(4-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

5871-0666

Molecular Formula

C27H17NO4 (C27 H17 NO4)

Compound Name

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

IUPAC name

20-(4-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(cc1)ccc1N(C(c1c2cc3Oc(cccc4)c4-c(cccc4)c4Oc3c1)=O)C2=O

InChI

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

InChI Key

MRFVVPFOUUSZNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03630711

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

-5.91

Polar Surface Area

42.679

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

References: we are preparing a list of scientific research reports with 5871-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-0666?
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What is the minimum amount of 5871-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-0666
  • 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 5871-0666 available by request