C681-0167 Screening compound: 2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(4-phenoxyphenyl)acetamide

C681-0167 Screening compound: 2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(4-phenoxyphenyl)acetamide
C681-0167 Screening compound: 2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(4-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C681-0167
2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(4-phenoxyphenyl)acetamide

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

C681-0167

Molecular Formula

C23H16ClN5O3 (C23 H16 ClN5 O3)

Compound Name

2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(4-phenoxyphenyl)acetamide

IUPAC name

2-{8-chloro-5-oxo-4H5H-[123]triazolo[15-a]quinazolin-4-yl}-N-(4-phenoxyphenyl)acetamide

SMILES

O=C(CN(c1cnnn1-c1c2ccc(Cl)c1)C2=O)Nc(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C23H16ClN5O3/c24-15-6-11-19-20(12-15)29-22(13-25-27-29)28(23(19)31)14-21(30)26-16-7-9-18(10-8-16)32-17-4-2-1-3-5-17/h1-13H,14H2,(H,26,30)

InChI Key

NQCLXOXFXXERED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.628

Distribution Coefficient, logD

4.628

Water Solubility, LogSw

-4.98

Polar Surface Area

69.971

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C681-0167 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C681-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C681-0167?
Check Price and Availability of C681-0167, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C681-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C681-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C681-0167
  • 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 C681-0167 available by request