8006-1471 Screening compound: (1Z)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one

8006-1471 Screening compound: (1Z)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
8006-1471 Screening compound: (1Z)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1471
(1Z)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-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

8006-1471

Molecular Formula

C14H13Cl2N3O (C14 H13 Cl2 N3 O)

Compound Name

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

IUPAC name

(1Z)-1-(24-dichlorophenyl)-4-methyl-2-(1H-124-triazol-1-yl)pent-1-en-3-one

SMILES

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

InChI

InChI=1S/C14H13Cl2N3O/c1-9(2)14(20)13(19-8-17-7-18-19)5-10-3-4-11(15)6-12(10)16/h3-9H,1-2H3

InChI Key

WPHGTNMDERTGGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.924

Distribution Coefficient, logD

3.924

Water Solubility, LogSw

-4.18

Polar Surface Area

37.683

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8006-1471 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-1471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1471?
Check Price and Availability of 8006-1471, 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 8006-1471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1471
  • 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 8006-1471 available by request