6103-0147 Screening compound: 3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

6103-0147 Screening compound: 3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine
6103-0147 Screening compound: 3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6103-0147
3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

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

6103-0147

Molecular Formula

C14H12N4O2S (C14 H12 N4 O2 S)

Compound Name

3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

IUPAC name

3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)-1H-124-triazol-5-amine

SMILES

COc(cc1)ccc1-c1nn(C(c2cccs2)=O)c(N)n1

InChI

InChI=1S/C14H12N4O2S/c1-20-10-6-4-9(5-7-10)12-16-14(15)18(17-12)13(19)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,17)

InChI Key

IMSWJTBGQDHRET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04088466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.478

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.63

Polar Surface Area

66.409

Acid Dissociation Constant (pKa)

19.45

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

6103-0147 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6103-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6103-0147?
Check Price and Availability of 6103-0147, 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 6103-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6103-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6103-0147
  • 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 6103-0147 available by request