6031-0132 Screening compound: 2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl 3-(4-methylphenoxy)propanoate

6031-0132 Screening compound: 2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl 3-(4-methylphenoxy)propanoate
6031-0132 Screening compound: 2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl 3-(4-methylphenoxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-0132
2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl 3-(4-methylphenoxy)propanoate

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

6031-0132

Molecular Formula

C33H30N2O5 (C33 H30 N2 O5)

Compound Name

2-methoxy-4-{9-oxo-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-8-yl}phenyl 3-(4-methylphenoxy)propanoate

IUPAC name

2-methoxy-4-{9-oxo-7H8H9H10H11H12H-cyclohexa[a]47-phenanthrolin-8-yl}phenyl 3-(4-methylphenoxy)propanoate

SMILES

Cc(cc1)ccc1OCCC(Oc(ccc(C(C1=C2CCCC1=O)Nc1c2c2cccnc2cc1)c1)c1OC)=O

InChI

InChI=1S/C33H30N2O5/c1-20-8-11-22(12-9-20)39-18-16-30(37)40-28-15-10-21(19-29(28)38-2)33-32-24(5-3-7-27(32)36)31-23-6-4-17-34-25(23)13-14-26(31)35-33/h4,6,8-15,17,19,33,35H,3,5,7,16,18H2,1-2H3/t33-/m0/s1

InChI Key

MMBDJZITPZWWKN-XIFFEERXSA-N

MDL Number (MFCD)

MFCD14711146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.981

Distribution Coefficient, logD

5.981

Water Solubility, LogSw

-5.68

Polar Surface Area

68.884

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

6031-0132 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 6031-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-0132?
Check Price and Availability of 6031-0132, 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 6031-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-0132
  • 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 6031-0132 available by request