8012-3297 Screening compound: 5-{4-[(2-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

8012-3297 Screening compound: 5-{4-[(2-fluorophenyl)methoxy]phenyl}-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
8012-3297 Screening compound: 5-{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 8012-3297
5-{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

8012-3297

Molecular Formula

C32H28FNO2 (C32 H28 FNO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1=C2C(c(cc3)ccc3OCc(cccc3)c3F)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C32H28FNO2/c1-32(2)17-25-29-24-9-5-3-7-20(24)13-16-27(29)34-31(30(25)28(35)18-32)21-11-14-23(15-12-21)36-19-22-8-4-6-10-26(22)33/h3-16,31,34H,17-19H2,1-2H3/t31-/m0/s1

InChI Key

ZDUBPVNPHSVQDJ-HKBQPEDESA-N

MDL Number (MFCD)

MFCD02934712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

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

6.992

Distribution Coefficient, logD

6.992

Water Solubility, LogSw

-6.93

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

8012-3297 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 8012-3297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3297?
Check Price and Availability of 8012-3297, 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 8012-3297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3297
  • 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 8012-3297 available by request