D155-0016 Screening compound: (1Z)-4-methyl-2-(1H-1,2,4-triazol-1-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)pent-1-en-3-one

D155-0016 Screening compound: (1Z)-4-methyl-2-(1H-1,2,4-triazol-1-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)pent-1-en-3-one
D155-0016 Screening compound: (1Z)-4-methyl-2-(1H-1,2,4-triazol-1-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)pent-1-en-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D155-0016
(1Z)-4-methyl-2-(1H-1,2,4-triazol-1-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)pent-1-en-3-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

D155-0016

Molecular Formula

C14H19N5O (C14 H19 N5 O)

Compound Name

(1Z)-4-methyl-2-(1H-1,2,4-triazol-1-yl)-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)pent-1-en-3-one

IUPAC name

(1Z)-4-methyl-2-(1H-124-triazol-1-yl)-1-(135-trimethyl-1H-pyrazol-4-yl)pent-1-en-3-one

SMILES

CC(C)C(/C(/n1ncnc1)=C/c1c(C)n(C)nc1C)=O

InChI

InChI=1S/C14H19N5O/c1-9(2)14(20)13(19-8-15-7-16-19)6-12-10(3)17-18(5)11(12)4/h6-9H,1-5H3

InChI Key

YSJWNKFKLCACKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00778831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.951

Distribution Coefficient, logD

0.950

Water Solubility, LogSw

-0.53

Polar Surface Area

52.522

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D155-0016 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D155-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D155-0016?
Check Price and Availability of D155-0016, 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 D155-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D155-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D155-0016
  • 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 D155-0016 available by request