4540-0039 Screening compound: 5-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

4540-0039 Screening compound: 5-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
4540-0039 Screening compound: 5-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethyl-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4540-0039
5-(3-chloro-4,5-dimethoxyphenyl)-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

4540-0039

Molecular Formula

C27H26ClNO3 (C27 H26 ClNO3)

Compound Name

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

IUPAC name

5-(3-chloro-45-dimethoxyphenyl)-22-dimethyl-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c(cc3OC)cc(Cl)c3OC)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C27H26ClNO3/c1-27(2)13-18-23-17-8-6-5-7-15(17)9-10-20(23)29-25(24(18)21(30)14-27)16-11-19(28)26(32-4)22(12-16)31-3/h5-12,25,29H,13-14H2,1-4H3/t25-/m0/s1

InChI Key

MPKRNEJXJDFNLB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02921679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.273

Distribution Coefficient, logD

6.273

Water Solubility, LogSw

-6.57

Polar Surface Area

40.279

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 4540-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4540-0039?
Check Price and Availability of 4540-0039, 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 4540-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4540-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4540-0039
  • 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 4540-0039 available by request