2039-0485 Screening compound: 5-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

2039-0485 Screening compound: 5-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
2039-0485 Screening compound: 5-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2039-0485
5-(3,5-dichloro-2-hydroxyphenyl)-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

2039-0485

Molecular Formula

C25H21Cl2NO2 (C25 H21 Cl2 NO2)

Compound Name

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

IUPAC name

5-(35-dichloro-2-hydroxyphenyl)-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c3cc(Cl)cc(Cl)c3O)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C25H21Cl2NO2/c1-25(2)11-17-21-15-6-4-3-5-13(15)7-8-19(21)28-23(22(17)20(29)12-25)16-9-14(26)10-18(27)24(16)30/h3-10,23,28,30H,11-12H2,1-2H3/t23-/m0/s1

InChI Key

NKHUQNISLANXKO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01161019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.730

Distribution Coefficient, logD

6.716

Water Solubility, LogSw

-6.01

Polar Surface Area

40.411

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

2039-0485 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2039-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2039-0485?
Check Price and Availability of 2039-0485, 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 2039-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2039-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2039-0485
  • 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 2039-0485 available by request