C680-0781 Screening compound: 1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-phenylpiperazine

C680-0781 Screening compound: 1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-phenylpiperazine
C680-0781 Screening compound: 1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0781
1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-phenylpiperazine

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

C680-0781

Molecular Formula

C26H20ClF3N6 (C26 H20 ClF3 N6)

Compound Name

1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,3]triazolo[1,5-a]quinazolin-5-yl}-4-phenylpiperazine

IUPAC name

1-{7-chloro-3-[3-(trifluoromethyl)phenyl]-[123]triazolo[15-a]quinazolin-5-yl}-4-phenylpiperazine

SMILES

FC(c1cccc(-c(nnn2c(cc3)c4cc3Cl)c2nc4N(CC2)CCN2c2ccccc2)c1)(F)F

InChI

InChI=1S/C26H20ClF3N6/c27-19-9-10-22-21(16-19)24(35-13-11-34(12-14-35)20-7-2-1-3-8-20)31-25-23(32-33-36(22)25)17-5-4-6-18(15-17)26(28,29)30/h1-10,15-16H,11-14H2

InChI Key

JYYMYUMPDPHSFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.874

Distribution Coefficient, logD

6.874

Water Solubility, LogSw

-6.91

Polar Surface Area

38.841

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with C680-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0781?
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What is the minimum amount of C680-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0781
  • 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 C680-0781 available by request