3615-0240 Screening compound: 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenoxy)acetic acid

3615-0240 Screening compound: 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenoxy)acetic acid
3615-0240 Screening compound: 2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0240
2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenoxy)acetic acid

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

3615-0240

Molecular Formula

C27H25NO4 (C27 H25 NO4)

Compound Name

2-(4-{2,2-dimethyl-4-oxo-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-5-yl}phenoxy)acetic acid

IUPAC name

2-(4-{22-dimethyl-4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}phenoxy)acetic acid

SMILES

CC(C)(CC1=C2C(c(cc3)ccc3OCC(O)=O)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C27H25NO4/c1-27(2)13-20-24-19-6-4-3-5-16(19)9-12-21(24)28-26(25(20)22(29)14-27)17-7-10-18(11-8-17)32-15-23(30)31/h3-12,26,28H,13-15H2,1-2H3,(H,30,31)/t26-/m0/s1

InChI Key

ZPHDEPJPUHFYBR-SANMLTNESA-N

MDL Number (MFCD)

MFCD02221194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

0.556

Water Solubility, LogSw

-5.49

Polar Surface Area

60.815

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

3615-0240 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3615-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0240?
Check Price and Availability of 3615-0240, 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 3615-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0240
  • 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 3615-0240 available by request