C680-0945 Screening compound: 1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(furan-2-carbonyl)piperazine

C680-0945 Screening compound: 1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(furan-2-carbonyl)piperazine
C680-0945 Screening compound: 1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C680-0945
1-[7-chloro-3-(3-methylphenyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-(furan-2-carbonyl)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

C680-0945

Molecular Formula

C25H21ClN6O2 (C25 H21 ClN6 O2)

Compound Name

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

IUPAC name

1-[7-chloro-3-(3-methylphenyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-(furan-2-carbonyl)piperazine

SMILES

Cc1cccc(-c(nnn2c(cc3)c4cc3Cl)c2nc4N(CC2)CCN2C(c2ccco2)=O)c1

InChI

InChI=1S/C25H21ClN6O2/c1-16-4-2-5-17(14-16)22-24-27-23(19-15-18(26)7-8-20(19)32(24)29-28-22)30-9-11-31(12-10-30)25(33)21-6-3-13-34-21/h2-8,13-15H,9-12H2,1H3

InChI Key

JXCORBXNQWGKDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

5.015

Water Solubility, LogSw

-5.13

Polar Surface Area

60.615

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C680-0945 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C680-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C680-0945?
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What is the minimum amount of C680-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C680-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C680-0945
  • 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 C680-0945 available by request