4073-0020 Screening compound: 4-[1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylaniline

4073-0020 Screening compound: 4-[1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylaniline
4073-0020 Screening compound: 4-[1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4073-0020
4-[1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylaniline

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

4073-0020

Molecular Formula

C17H17ClN4 (C17 H17 ClN4)

Compound Name

4-[1-(3-chloro-2-methylphenyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylaniline

IUPAC name

4-[1-(3-chloro-2-methylphenyl)-1H-124-triazol-5-yl]-NN-dimethylaniline

SMILES

Cc(c(-n1ncnc1-c(cc1)ccc1N(C)C)ccc1)c1Cl

InChI

InChI=1S/C17H17ClN4/c1-12-15(18)5-4-6-16(12)22-17(19-11-20-22)13-7-9-14(10-8-13)21(2)3/h4-11H,1-3H3

InChI Key

GFMIRIXUYDOVLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01308522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.85

Polar Surface Area

27.334

Acid Dissociation Constant (pKa)

26.72

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4073-0020 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4073-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4073-0020?
Check Price and Availability of 4073-0020, 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 4073-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4073-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4073-0020
  • 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 4073-0020 available by request