8015-1774 Screening compound: 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl tridecanoate

8015-1774 Screening compound: 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl tridecanoate
8015-1774 Screening compound: 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl tridecanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1774
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl tridecanoate

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

8015-1774

Molecular Formula

C39H49NO4 (C39 H49 NO4)

Compound Name

4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl tridecanoate

IUPAC name

4-{22-dimethyl-4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl tridecanoate

SMILES

CCCCCCCCCCCCC(Oc(ccc(C(C1=C2CC(C)(C)CC1=O)Nc1c2c2ccccc2cc1)c1)c1OC)=O

InChI

InChI=1S/C39H49NO4/c1-5-6-7-8-9-10-11-12-13-14-19-35(42)44-33-23-21-28(24-34(33)43-4)38-37-30(25-39(2,3)26-32(37)41)36-29-18-16-15-17-27(29)20-22-31(36)40-38/h15-18,20-24,38,40H,5-14,19,25-26H2,1-4H3/t38-/m0/s1

InChI Key

IPVMJYNPCVAXQM-LHEWISCISA-N

MDL Number (MFCD)

MFCD03854696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

10.622

Distribution Coefficient, logD

10.622

Water Solubility, LogSw

-6.97

Polar Surface Area

52.703

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.72

8015-1774 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1774?
Check Price and Availability of 8015-1774, 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 8015-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1774
  • 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 8015-1774 available by request