D155-0006 Screening compound: (2Z)-1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one

D155-0006 Screening compound: (2Z)-1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
D155-0006 Screening compound: (2Z)-1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D155-0006
(2Z)-1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one

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

D155-0006

Molecular Formula

C16H10Cl2N4O (C16 H10 Cl2 N4 O)

Compound Name

(2Z)-1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one

IUPAC name

(2Z)-1-(24-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-124-triazol-1-yl)prop-2-en-1-one

SMILES

O=C(/C(/n1ncnc1)=C/c1cnccc1)c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C16H10Cl2N4O/c17-12-3-4-13(14(18)7-12)16(23)15(22-10-20-9-21-22)6-11-2-1-5-19-8-11/h1-10H

InChI Key

DTSQKGNWBXCQRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00633100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.89

Polar Surface Area

46.929

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D155-0006 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D155-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D155-0006?
Check Price and Availability of D155-0006, 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 D155-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D155-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D155-0006
  • 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 D155-0006 available by request