3033-1284 Screening compound: 5-[4-(benzyloxy)phenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

3033-1284 Screening compound: 5-[4-(benzyloxy)phenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
3033-1284 Screening compound: 5-[4-(benzyloxy)phenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-1284
5-[4-(benzyloxy)phenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

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

3033-1284

Molecular Formula

C32H29NO2 (C32 H29 NO2)

Compound Name

5-[4-(benzyloxy)phenyl]-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

5-[4-(benzyloxy)phenyl]-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c(cc3)ccc3OCc3ccccc3)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C32H29NO2/c1-32(2)18-26-29-25-11-7-6-10-22(25)14-17-27(29)33-31(30(26)28(34)19-32)23-12-15-24(16-13-23)35-20-21-8-4-3-5-9-21/h3-17,31,33H,18-20H2,1-2H3/t31-/m0/s1

InChI Key

HWFXCKCZXVTATB-HKBQPEDESA-N

MDL Number (MFCD)

MFCD00809824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.917

Distribution Coefficient, logD

6.917

Water Solubility, LogSw

-6.96

Polar Surface Area

32.159

Acid Dissociation Constant (pKa)

15.38

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.90

3033-1284 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3033-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-1284?
Check Price and Availability of 3033-1284, 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 3033-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-1284
  • 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 3033-1284 available by request