8020-4783 Screening compound: 1-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1-cyclohexanamine

8020-4783 Screening compound: 1-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1-cyclohexanamine
8020-4783 Screening compound: 1-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1-cyclohexanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4783
1-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1-cyclohexanamine

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

8020-4783

Molecular Formula

C14H17ClN4 (C14 H17 ClN4)

Compound Name

1-[1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl]-1-cyclohexanamine

IUPAC name

1-[1-(3-chlorophenyl)-1H-123-triazol-4-yl]cyclohexan-1-amine

SMILES

NC1(CCCCC1)c1cn(-c2cccc(Cl)c2)nn1

InChI

InChI=1S/C14H17ClN4/c15-11-5-4-6-12(9-11)19-10-13(17-18-19)14(16)7-2-1-3-8-14/h4-6,9-10H,1-3,7-8,16H2

InChI Key

BKYCEFRMWVVZEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.220

Distribution Coefficient, logD

1.066

Water Solubility, LogSw

-2.67

Polar Surface Area

46.864

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

8.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8020-4783 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-4783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4783?
Check Price and Availability of 8020-4783, 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 8020-4783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4783
  • 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 8020-4783 available by request