C680-0162 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0162 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0162 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0162
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorophenyl)-[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

C680-0162

Molecular Formula

C23H16ClN5O2 (C23 H16 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H16ClN5O2/c24-16-8-6-15(7-9-16)21-23-26-22(17-3-1-2-4-18(17)29(23)28-27-21)25-12-14-5-10-19-20(11-14)31-13-30-19/h1-11H,12-13H2,(H,25,26)

InChI Key

LJCXFCSRBDPWAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.87

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

5.016

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-5.48

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

8.70

C680-0162 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 C680-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0162?
Check Price and Availability of C680-0162, 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 C680-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0162
  • 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 C680-0162 available by request