C680-0842 Screening compound: 7-chloro-N,N-diethyl-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

C680-0842 Screening compound: 7-chloro-N,N-diethyl-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine
C680-0842 Screening compound: 7-chloro-N,N-diethyl-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0842
7-chloro-N,N-diethyl-3-(3-fluorophenyl)-[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

C680-0842

Molecular Formula

C19H17ClFN5 (C19 H17 ClFN5)

Compound Name

7-chloro-N,N-diethyl-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

IUPAC name

7-chloro-NN-diethyl-3-(3-fluorophenyl)-[123]triazolo[15-a]quinazolin-5-amine

SMILES

CCN(CC)c1nc2c(-c3cc(F)ccc3)nnn2c(cc2)c1cc2Cl

InChI

InChI=1S/C19H17ClFN5/c1-3-25(4-2)18-15-11-13(20)8-9-16(15)26-19(22-18)17(23-24-26)12-6-5-7-14(21)10-12/h5-11H,3-4H2,1-2H3

InChI Key

UTSHWEWQDCSQMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.88

Polar Surface Area

34.865

Acid Dissociation Constant (pKa)

21.98

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C680-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0842?
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What is the minimum amount of C680-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0842
  • 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 C680-0842 available by request