3175-0416 Screening compound: 5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

3175-0416 Screening compound: 5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
3175-0416 Screening compound: 5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3175-0416
5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]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

3175-0416

Molecular Formula

C34H32FNO3 (C34 H32 FNO3)

Compound Name

5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CCOc(cc(C(C1=C2CC(C)(C)CC1=O)Nc1c2c2ccccc2cc1)cc1)c1OCc(cccc1)c1F

InChI

InChI=1S/C34H32FNO3/c1-4-38-30-17-22(14-16-29(30)39-20-23-10-6-8-12-26(23)35)33-32-25(18-34(2,3)19-28(32)37)31-24-11-7-5-9-21(24)13-15-27(31)36-33/h5-17,33,36H,4,18-20H2,1-3H3/t33-/m0/s1

InChI Key

MWSRYWLQURSAFT-XIFFEERXSA-N

MDL Number (MFCD)

MFCD02086471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.026

Distribution Coefficient, logD

7.026

Water Solubility, LogSw

-6.93

Polar Surface Area

39.456

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.50

References: we are preparing a list of scientific research reports with 3175-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3175-0416?
Check Price and Availability of 3175-0416, 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 3175-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3175-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3175-0416
  • 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 3175-0416 available by request