C680-0514 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0514 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0514 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-(4-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0514
N-[2-(4-chlorophenyl)ethyl]-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

C680-0514

Molecular Formula

C24H20ClN5 (C24 H20 ClN5)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-(4-methylphenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

Cc(cc1)ccc1-c(nnn1c2c3cccc2)c1nc3NCCc(cc1)ccc1Cl

InChI

InChI=1S/C24H20ClN5/c1-16-6-10-18(11-7-16)22-24-27-23(26-15-14-17-8-12-19(25)13-9-17)20-4-2-3-5-21(20)30(24)29-28-22/h2-13H,14-15H2,1H3,(H,26,27)

InChI Key

ZSVYAEFWRHETBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

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

5.883

Distribution Coefficient, logD

5.883

Water Solubility, LogSw

-6.32

Polar Surface Area

42.911

Acid Dissociation Constant (pKa)

20.05

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C680-0514 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C680-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0514?
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What is the minimum amount of C680-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0514
  • 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 C680-0514 available by request