E595-0563 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0563 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0563 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0563
1-(3,4-dimethylphenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-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

E595-0563

Molecular Formula

C16H14N6OS (C16 H14 N6 OS)

Compound Name

1-(3,4-dimethylphenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

IUPAC name

1-(34-dimethylphenyl)-4-[3-(thiophen-2-yl)-124-oxadiazol-5-yl]-1H-123-triazol-5-amine

SMILES

Cc(cc1)c(C)cc1-n1nnc(-c2nc(-c3cccs3)no2)c1N

InChI

InChI=1S/C16H14N6OS/c1-9-5-6-11(8-10(9)2)22-14(17)13(19-21-22)16-18-15(20-23-16)12-4-3-7-24-12/h3-8H,17H2,1-2H3

InChI Key

PTWSUXFCCVQULG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.01

Polar Surface Area

78.757

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E595-0563 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E595-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0563?
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What is the minimum amount of E595-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0563
  • 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 E595-0563 available by request