C680-0971 Screening compound: 1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-methoxyphenyl)piperazine

C680-0971 Screening compound: 1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-methoxyphenyl)piperazine
C680-0971 Screening compound: 1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0971
1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-methoxyphenyl)piperazine

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

C680-0971

Molecular Formula

C27H25ClN6O (C27 H25 ClN6 O)

Compound Name

1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(4-methoxyphenyl)piperazine

IUPAC name

1-[7-chloro-3-(3-methylphenyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-(4-methoxyphenyl)piperazine

SMILES

Cc1cccc(-c(nnn2c(cc3)c4cc3Cl)c2nc4N(CC2)CCN2c(cc2)ccc2OC)c1

InChI

InChI=1S/C27H25ClN6O/c1-18-4-3-5-19(16-18)25-27-29-26(23-17-20(28)6-11-24(23)34(27)31-30-25)33-14-12-32(13-15-33)21-7-9-22(35-2)10-8-21/h3-11,16-17H,12-15H2,1-2H3

InChI Key

VIDUWUBRKHXSDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.546

Distribution Coefficient, logD

6.546

Water Solubility, LogSw

-6.49

Polar Surface Area

46.385

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with C680-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0971?
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What is the minimum amount of C680-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0971
  • 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 C680-0971 available by request