8014-7716 Screening compound: 2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 1-adamantanecarboxylate

8014-7716 Screening compound: 2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 1-adamantanecarboxylate
8014-7716 Screening compound: 2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 1-adamantanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7716
2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 1-adamantanecarboxylate

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

8014-7716

Molecular Formula

C35H35NO4 (C35 H35 NO4)

Compound Name

2-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenyl 1-adamantanecarboxylate

IUPAC name

2-methoxy-4-{4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}phenyl adamantane-1-carboxylate

SMILES

COc(cc(C(C1=C2CCCC1=O)Nc1c2c2ccccc2cc1)cc1)c1OC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C35H35NO4/c1-39-30-16-24(10-12-29(30)40-34(38)35-17-20-13-21(18-35)15-22(14-20)19-35)33-32-26(7-4-8-28(32)37)31-25-6-3-2-5-23(25)9-11-27(31)36-33/h2-3,5-6,9-12,16,20-22,33,36H,4,7-8,13-15,17-19H2,1H3/t20?,21?,22?,33-,35?/m0/s1

InChI Key

ZJIMVAOLVURSQP-BNEHMXCCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.938

Distribution Coefficient, logD

7.938

Water Solubility, LogSw

-7.09

Polar Surface Area

53.060

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

8014-7716 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8014-7716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7716?
Check Price and Availability of 8014-7716, 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 8014-7716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7716
  • 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 8014-7716 available by request