C680-0568 Screening compound: 3-(3-methylphenyl)-N-(2-phenylpropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0568 Screening compound: 3-(3-methylphenyl)-N-(2-phenylpropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0568 Screening compound: 3-(3-methylphenyl)-N-(2-phenylpropyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0568
3-(3-methylphenyl)-N-(2-phenylpropyl)-[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

C680-0568

Molecular Formula

C25H23N5 (C25 H23 N5)

Compound Name

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

IUPAC name

3-(3-methylphenyl)-N-(2-phenylpropyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CC(CNc1nc2c(-c3cc(C)ccc3)nnn2c2c1cccc2)c1ccccc1

InChI

InChI=1S/C25H23N5/c1-17-9-8-12-20(15-17)23-25-27-24(26-16-18(2)19-10-4-3-5-11-19)21-13-6-7-14-22(21)30(25)29-28-23/h3-15,18H,16H2,1-2H3,(H,26,27)/t18-/m0/s1

InChI Key

KWGKGXYRONSGOY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06403487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.210

Distribution Coefficient, logD

6.210

Water Solubility, LogSw

-6.04

Polar Surface Area

43.070

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with C680-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0568?
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What is the minimum amount of C680-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0568
  • 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 C680-0568 available by request