E595-0379 Screening compound: 1-(3-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0379 Screening compound: 1-(3-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0379 Screening compound: 1-(3-methoxyphenyl)-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0379
1-(3-methoxyphenyl)-4-[3-(2-methylphenyl)-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

E595-0379

Molecular Formula

C18H16N6O2 (C18 H16 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1noc(-c2c(N)n(-c3cc(OC)ccc3)nn2)n1

InChI

InChI=1S/C18H16N6O2/c1-11-6-3-4-9-14(11)17-20-18(26-22-17)15-16(19)24(23-21-15)12-7-5-8-13(10-12)25-2/h3-10H,19H2,1-2H3

InChI Key

PJMYGSSKNNAABO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

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

3.237

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.47

Polar Surface Area

85.282

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with E595-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0379?
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What is the minimum amount of E595-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0379
  • 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 E595-0379 available by request