5871-1860 Screening compound: 3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic acid

5871-1860 Screening compound: 3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic acid
5871-1860 Screening compound: 3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5871-1860
3-(11,13-dioxo-11,13-dihydro-12H-dibenzo[5,6:7,8][1,4]dioxocino[2,3-f]isoindol-12-yl)-4-methylbenzoic 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

5871-1860

Molecular Formula

C28H17NO6 (C28 H17 NO6)

Compound Name

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

IUPAC name

3-{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}-4-methylbenzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1N(C(c1c2cc3Oc(cccc4)c4-c(cccc4)c4Oc3c1)=O)C2=O

InChI

InChI=1S/C28H17NO6/c1-15-10-11-16(28(32)33)12-21(15)29-26(30)19-13-24-25(14-20(19)27(29)31)35-23-9-5-3-7-18(23)17-6-2-4-8-22(17)34-24/h2-14H,1H3,(H,32,33)

InChI Key

RAZMBQVXCYHGIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03631858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.45

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

6.882

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-5.60

Polar Surface Area

70.786

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

5871-1860 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5871-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-1860?
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What is the minimum amount of 5871-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-1860
  • 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 5871-1860 available by request