E595-0437 Screening compound: 1-(2-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0437 Screening compound: 1-(2-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0437 Screening compound: 1-(2-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0437
1-(2-chlorophenyl)-4-[3-(4-fluorophenyl)-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

E595-0437

Molecular Formula

C16H10ClFN6O (C16 H10 ClFN6 O)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(-c2nc(-c(cc3)ccc3F)no2)nnn1-c(cccc1)c1Cl

InChI

InChI=1S/C16H10ClFN6O/c17-11-3-1-2-4-12(11)24-14(19)13(21-23-24)16-20-15(22-25-16)9-5-7-10(18)8-6-9/h1-8H,19H2

InChI Key

YNPNSMOHOAWULM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.75

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

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.96

Polar Surface Area

77.437

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

E595-0437 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E595-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0437?
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What is the minimum amount of E595-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0437
  • 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 E595-0437 available by request