5871-1855 Screening compound: 4-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid

5871-1855 Screening compound: 4-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid
5871-1855 Screening compound: 4-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5871-1855
4-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid

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

5871-1855

Molecular Formula

C27H15NO6 (C27 H15 NO6)

Compound Name

4-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)benzoic acid

IUPAC name

4-{1921-dioxo-215-dioxa-20-azapentacyclo[14.7.0.0^{38}.0^{914}.0^{1822}]tricosa-1(23)3(8)469(14)10121618(22)-nonaen-20-yl}benzoic acid

SMILES

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

InChI

InChI=1S/C27H15NO6/c29-25-19-13-23-24(14-20(19)26(30)28(25)16-11-9-15(10-12-16)27(31)32)34-22-8-4-2-6-18(22)17-5-1-3-7-21(17)33-23/h1-14H,(H,31,32)

InChI Key

IPSWEDUFBMCVFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03631853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.240

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-5.93

Polar Surface Area

71.087

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 5871-1855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-1855?
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What is the minimum amount of 5871-1855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-1855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-1855
  • 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 5871-1855 available by request