E595-0289 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0289 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0289 Screening compound: 1-(3,4-dimethylphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0289
1-(3,4-dimethylphenyl)-4-[3-(4-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

E595-0289

Molecular Formula

C19H18N6O (C19 H18 N6 O)

Compound Name

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

IUPAC name

1-(34-dimethylphenyl)-4-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-1H-123-triazol-5-amine

SMILES

Cc(cc1)ccc1-c1noc(-c2c(N)n(-c3cc(C)c(C)cc3)nn2)n1

InChI

InChI=1S/C19H18N6O/c1-11-4-7-14(8-5-11)18-21-19(26-23-18)16-17(20)25(24-22-16)15-9-6-12(2)13(3)10-15/h4-10H,20H2,1-3H3

InChI Key

PMWTVKQQUCTPJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

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

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.53

Polar Surface Area

77.738

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with E595-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0289?
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What is the minimum amount of E595-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0289
  • 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 E595-0289 available by request