E595-0460 Screening compound: 1-(4-ethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0460 Screening compound: 1-(4-ethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0460 Screening compound: 1-(4-ethylphenyl)-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 E595-0460
1-(4-ethylphenyl)-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

E595-0460

Molecular Formula

C18H15FN6O (C18 H15 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-n1nnc(-c2nc(-c(cc3)ccc3F)no2)c1N

InChI

InChI=1S/C18H15FN6O/c1-2-11-3-9-14(10-4-11)25-16(20)15(22-24-25)18-21-17(23-26-18)12-5-7-13(19)8-6-12/h3-10H,2,20H2,1H3

InChI Key

NRPCQRAARMOEPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.22

Polar Surface Area

77.738

Acid Dissociation Constant (pKa)

21.71

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with E595-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0460?
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What is the minimum amount of E595-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0460
  • 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 E595-0460 available by request