C680-0860 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]azepane

C680-0860 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]azepane
C680-0860 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0860
1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]azepane

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

C680-0860

Molecular Formula

C21H19ClFN5 (C21 H19 ClFN5)

Compound Name

1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]azepane

IUPAC name

1-[7-chloro-3-(3-fluorophenyl)-[123]triazolo[15-a]quinazolin-5-yl]azepane

SMILES

Fc1cccc(-c(nnn2c(cc3)c4cc3Cl)c2nc4N2CCCCCC2)c1

InChI

InChI=1S/C21H19ClFN5/c22-15-8-9-18-17(13-15)20(27-10-3-1-2-4-11-27)24-21-19(25-26-28(18)21)14-6-5-7-16(23)12-14/h5-9,12-13H,1-4,10-11H2

InChI Key

JZLIDZRCYYZCLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.054

Distribution Coefficient, logD

6.054

Water Solubility, LogSw

-6.56

Polar Surface Area

35.912

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C680-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0860?
Check Price and Availability of C680-0860, 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 C680-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0860
  • 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 C680-0860 available by request