2388-0507 Screening compound: 2-(4-chlorophenoxy)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

2388-0507 Screening compound: 2-(4-chlorophenoxy)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
2388-0507 Screening compound: 2-(4-chlorophenoxy)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-0507
2-(4-chlorophenoxy)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-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

2388-0507

Molecular Formula

C16H11Cl2N3O2 (C16 H11 Cl2 N3 O2)

Compound Name

2-(4-chlorophenoxy)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

IUPAC name

2-(4-chlorophenoxy)-1-(4-chlorophenyl)-2-(1H-124-triazol-1-yl)ethan-1-one

SMILES

O=C(C(n1ncnc1)Oc(cc1)ccc1Cl)c(cc1)ccc1Cl

InChI

InChI=1S/C16H11Cl2N3O2/c17-12-3-1-11(2-4-12)15(22)16(21-10-19-9-20-21)23-14-7-5-13(18)6-8-14/h1-10,16H/t16-/m0/s1

InChI Key

VWGSPJTUAWVQHY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01931742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.12

Polar Surface Area

43.920

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

2388-0507 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)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2388-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-0507?
Check Price and Availability of 2388-0507, 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 2388-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-0507
  • 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 2388-0507 available by request