3448-9336 Screening compound: 8-(5-bromo-2-methoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one

3448-9336 Screening compound: 8-(5-bromo-2-methoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one
3448-9336 Screening compound: 8-(5-bromo-2-methoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-9336
8-(5-bromo-2-methoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-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

3448-9336

Molecular Formula

C23H19BrN2O2 (C23 H19 BrN2 O2)

Compound Name

8-(5-bromo-2-methoxyphenyl)-7H,8H,9H,10H,11H,12H-cyclohexa[a]4,7-phenanthrolin-9-one

IUPAC name

8-(5-bromo-2-methoxyphenyl)-7H8H9H10H11H12H-cyclohexa[a]47-phenanthrolin-9-one

SMILES

COc(cc1)c(C(C2=C3CCCC2=O)Nc2c3c3cccnc3cc2)cc1Br

InChI

InChI=1S/C23H19BrN2O2/c1-28-20-10-7-13(24)12-16(20)23-22-15(4-2-6-19(22)27)21-14-5-3-11-25-17(14)8-9-18(21)26-23/h3,5,7-12,23,26H,2,4,6H2,1H3/t23-/m0/s1

InChI Key

IOJWAUVDOMDKPJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02103139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-5.38

Polar Surface Area

41.597

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

3448-9336 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 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 3448-9336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-9336?
Check Price and Availability of 3448-9336, 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 3448-9336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-9336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-9336
  • 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 3448-9336 available by request