C680-0849 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-methylpiperazine

C680-0849 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-methylpiperazine
C680-0849 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0849
1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-methylpiperazine

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

C680-0849

Molecular Formula

C20H18ClFN6 (C20 H18 ClFN6)

Compound Name

1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-methylpiperazine

IUPAC name

1-[7-chloro-3-(3-fluorophenyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-methylpiperazine

SMILES

CN(CC1)CCN1c1nc2c(-c3cc(F)ccc3)nnn2c(cc2)c1cc2Cl

InChI

InChI=1S/C20H18ClFN6/c1-26-7-9-27(10-8-26)19-16-12-14(21)5-6-17(16)28-20(23-19)18(24-25-28)13-3-2-4-15(22)11-13/h2-6,11-12H,7-10H2,1H3

InChI Key

KEOPPDSUEYRFSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-4.57

Polar Surface Area

39.058

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C680-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0849?
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What is the minimum amount of C680-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0849
  • 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 C680-0849 available by request