E595-0456 Screening compound: 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazol-5-amine

E595-0456 Screening compound: 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazol-5-amine
E595-0456 Screening compound: 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0456
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxy-5-methylphenyl)-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

E595-0456

Molecular Formula

C18H15FN6O2 (C18 H15 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(-n2nnc(-c3nc(-c(cc4)ccc4F)no3)c2N)c1OC

InChI

InChI=1S/C18H15FN6O2/c1-10-3-8-14(26-2)13(9-10)25-16(20)15(22-24-25)18-21-17(23-27-18)11-4-6-12(19)7-5-11/h3-9H,20H2,1-2H3

InChI Key

YWTQZRCSQDVBAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.56

Polar Surface Area

85.068

Acid Dissociation Constant (pKa)

23.03

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with E595-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0456?
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What is the minimum amount of E595-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0456
  • 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 E595-0456 available by request