C680-0846 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]pyrrolidine

C680-0846 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]pyrrolidine
C680-0846 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0846
1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]pyrrolidine

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

C680-0846

Molecular Formula

C19H15ClFN5 (C19 H15 ClFN5)

Compound Name

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

IUPAC name

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

SMILES

Fc1cccc(-c(nnn2c(cc3)c4cc3Cl)c2nc4N2CCCC2)c1

InChI

InChI=1S/C19H15ClFN5/c20-13-6-7-16-15(11-13)18(25-8-1-2-9-25)22-19-17(23-24-26(16)19)12-4-3-5-14(21)10-12/h3-7,10-11H,1-2,8-9H2

InChI Key

QGXSLEHBPSDEKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.81

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

5.142

Distribution Coefficient, logD

5.142

Water Solubility, LogSw

-5.82

Polar Surface Area

35.947

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C680-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0846?
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What is the minimum amount of C680-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0846
  • 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 C680-0846 available by request