C680-0566 Screening compound: N-[(3-methoxyphenyl)methyl]-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0566 Screening compound: N-[(3-methoxyphenyl)methyl]-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0566 Screening compound: N-[(3-methoxyphenyl)methyl]-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0566
N-[(3-methoxyphenyl)methyl]-3-(3-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

C680-0566

Molecular Formula

C24H21N5O (C24 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c(nnn2c3c4cccc3)c2nc4NCc2cccc(OC)c2)c1

InChI

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

InChI Key

PNPJBOZTRLRXJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403320

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

5.063

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-4.99

Polar Surface Area

50.614

Acid Dissociation Constant (pKa)

19.18

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C680-0566 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C680-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0566?
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What is the minimum amount of C680-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0566
  • 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 C680-0566 available by request