C680-0864 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(2-methoxyphenyl)piperazine

C680-0864 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(2-methoxyphenyl)piperazine
C680-0864 Screening compound: 1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0864
1-[7-chloro-3-(3-fluorophenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(2-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

C680-0864

Molecular Formula

C26H22ClFN6O (C26 H22 ClFN6 O)

Compound Name

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

IUPAC name

1-[7-chloro-3-(3-fluorophenyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1c1nc2c(-c3cc(F)ccc3)nnn2c(cc2)c1cc2Cl

InChI

InChI=1S/C26H22ClFN6O/c1-35-23-8-3-2-7-22(23)32-11-13-33(14-12-32)25-20-16-18(27)9-10-21(20)34-26(29-25)24(30-31-34)17-5-4-6-19(28)15-17/h2-10,15-16H,11-14H2,1H3

InChI Key

WOBMVWTUQSOQHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.95

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

6.194

Distribution Coefficient, logD

6.194

Water Solubility, LogSw

-6.29

Polar Surface Area

46.171

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C680-0864 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C680-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0864?
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What is the minimum amount of C680-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0864
  • 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 C680-0864 available by request