C680-0505 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0505 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0505 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0505
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

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

C680-0505

Molecular Formula

C24H19N5O2 (C24 H19 N5 O2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1)ccc1-c(nnn1c2c3cccc2)c1nc3NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H19N5O2/c1-15-6-9-17(10-7-15)22-24-26-23(18-4-2-3-5-19(18)29(24)28-27-22)25-13-16-8-11-20-21(12-16)31-14-30-20/h2-12H,13-14H2,1H3,(H,25,26)

InChI Key

BADHCYKITBRBJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.88

Polar Surface Area

60.185

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C680-0505 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C680-0505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0505?
Check Price and Availability of C680-0505, 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 C680-0505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0505
  • 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 C680-0505 available by request