C681-0180 Screening compound: 2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(2,5-dimethoxyphenyl)acetamide

C681-0180 Screening compound: 2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(2,5-dimethoxyphenyl)acetamide
C681-0180 Screening compound: 2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(2,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C681-0180
2-{8-chloro-5-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinazolin-4-yl}-N-(2,5-dimethoxyphenyl)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

C681-0180

Molecular Formula

C19H16ClN5O4 (C19 H16 ClN5 O4)

Compound Name

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

IUPAC name

2-{8-chloro-5-oxo-4H5H-[123]triazolo[15-a]quinazolin-4-yl}-N-(25-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(NC(CN(c2cnnn2-c2c3ccc(Cl)c2)C3=O)=O)c1OC

InChI

InChI=1S/C19H16ClN5O4/c1-28-12-4-6-16(29-2)14(8-12)22-17(26)10-24-18-9-21-23-25(18)15-7-11(20)3-5-13(15)19(24)27/h3-9H,10H2,1-2H3,(H,22,26)

InChI Key

ZYAWAOAEZQBRSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

2.621

Water Solubility, LogSw

-3.48

Polar Surface Area

77.700

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C681-0180 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C681-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C681-0180?
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What is the minimum amount of C681-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C681-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C681-0180
  • 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 C681-0180 available by request