E595-0553 Screening compound: 1-(3-fluorophenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0553 Screening compound: 1-(3-fluorophenyl)-4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0553 Screening compound: 1-(3-fluorophenyl)-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 E595-0553
1-(3-fluorophenyl)-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

E595-0553

Molecular Formula

C14H9FN6OS (C14 H9 FN6 OS)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1cc(F)ccc1

InChI

InChI=1S/C14H9FN6OS/c15-8-3-1-4-9(7-8)21-12(16)11(18-20-21)14-17-13(19-22-14)10-5-2-6-23-10/h1-7H,16H2

InChI Key

HEIZPDSCMKWXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

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

2.793

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.10

Polar Surface Area

78.757

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

E595-0553 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 E595-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0553?
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What is the minimum amount of E595-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0553
  • 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 E595-0553 available by request