8018-2486 Screening compound: ethyl 2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate

8018-2486 Screening compound: ethyl 2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate
8018-2486 Screening compound: ethyl 2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2486
ethyl 2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate

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

8018-2486

Molecular Formula

C12H12ClN3O2 (C12 H12 ClN3 O2)

Compound Name

ethyl 2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate

IUPAC name

ethyl 2-[5-(4-chlorophenyl)-4H-124-triazol-3-yl]acetate

SMILES

CCOC(Cc1nnc(-c(cc2)ccc2Cl)[nH]1)=O

InChI

InChI=1S/C12H12ClN3O2/c1-2-18-11(17)7-10-14-12(16-15-10)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H,14,15,16)

InChI Key

PAFGUSGWIQASIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

2.324

Water Solubility, LogSw

-3.39

Polar Surface Area

55.173

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8018-2486 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2486?
Check Price and Availability of 8018-2486, 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 8018-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2486
  • 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 8018-2486 available by request