C680-0511 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0511 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0511 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0511
N-[(4-methoxyphenyl)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

C680-0511

Molecular Formula

C24H21N5O (C24 H21 N5 O)

Compound Name

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

IUPAC name

N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1)ccc1-c(nnn1c2c3cccc2)c1nc3NCc(cc1)ccc1OC

InChI

InChI=1S/C24H21N5O/c1-16-7-11-18(12-8-16)22-24-26-23(25-15-17-9-13-19(30-2)14-10-17)20-5-3-4-6-21(20)29(24)28-27-22/h3-14H,15H2,1-2H3,(H,25,26)

InChI Key

DCJDJBIHWBMOGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.914

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.82

Polar Surface Area

50.614

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C680-0511 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C680-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0511?
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What is the minimum amount of C680-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0511
  • 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 C680-0511 available by request