C301-4909 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-({[1,2,4]triazolo[4,3-c]quinazolin-5-yl}amino)benzamide

C301-4909 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-({[1,2,4]triazolo[4,3-c]quinazolin-5-yl}amino)benzamide
C301-4909 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-4-({[1,2,4]triazolo[4,3-c]quinazolin-5-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4909
N-[2-(3,4-diethoxyphenyl)ethyl]-4-({[1,2,4]triazolo[4,3-c]quinazolin-5-yl}amino)benzamide

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

C301-4909

Molecular Formula

C28H28N6O3 (C28 H28 N6 O3)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-4-({[1,2,4]triazolo[4,3-c]quinazolin-5-yl}amino)benzamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-4-({[124]triazolo[43-c]quinazolin-5-yl}amino)benzamide

SMILES

CCOc(ccc(CCNC(c(cc1)ccc1Nc1nc(cccc2)c2c2nncn12)=O)c1)c1OCC

InChI

InChI=1S/C28H28N6O3/c1-3-36-24-14-9-19(17-25(24)37-4-2)15-16-29-27(35)20-10-12-21(13-11-20)31-28-32-23-8-6-5-7-22(23)26-33-30-18-34(26)28/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,29,35)(H,31,32)

InChI Key

FLIVUIHVUGSRGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.66

Polar Surface Area

80.372

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C301-4909 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-4909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4909?
Check Price and Availability of C301-4909, 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 C301-4909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4909
  • 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 C301-4909 available by request