0286-0053 Screening compound: 4-anilino-2,7-diphenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

0286-0053 Screening compound: 4-anilino-2,7-diphenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
0286-0053 Screening compound: 4-anilino-2,7-diphenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0286-0053
4-anilino-2,7-diphenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

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

0286-0053

Molecular Formula

C32H19N3O4 (C32 H19 N3 O4)

Compound Name

4-anilino-2,7-diphenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone

IUPAC name

613-diphenyl-2-(phenylamino)-613-diazatetracyclo[6.6.2.0^{416}.0^{1115}]hexadeca-1381015-pentaene-571214-tetrone

SMILES

O=C(c(cc1)c(c2cc(Nc3ccccc3)c3C(N4c5ccccc5)=O)c3c1C4=O)N(c1ccccc1)C2=O

InChI

InChI=1S/C32H19N3O4/c36-29-22-16-17-23-27-26(22)24(31(38)34(29)20-12-6-2-7-13-20)18-25(33-19-10-4-1-5-11-19)28(27)32(39)35(30(23)37)21-14-8-3-9-15-21/h1-18,33H

InChI Key

XJAVGUDUSJPHPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-5.04

Polar Surface Area

64.732

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0286-0053 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0286-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0286-0053?
Check Price and Availability of 0286-0053, 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 0286-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0286-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0286-0053
  • 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 0286-0053 available by request