E595-0399 Screening compound: 1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine

E595-0399 Screening compound: 1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine
E595-0399 Screening compound: 1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0399
1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-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

E595-0399

Molecular Formula

C17H13ClN6O2 (C17 H13 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(-c2c(N)n(-c3cccc(Cl)c3)nn2)n1

InChI

InChI=1S/C17H13ClN6O2/c1-25-13-7-5-10(6-8-13)16-20-17(26-22-16)14-15(19)24(23-21-14)12-4-2-3-11(18)9-12/h2-9H,19H2,1H3

InChI Key

NKTNDODMSHKZIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.78

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

3.678

Distribution Coefficient, logD

3.678

Water Solubility, LogSw

-4.02

Polar Surface Area

85.282

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

E595-0399 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E595-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0399?
Check Price and Availability of E595-0399, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E595-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0399
  • 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 E595-0399 available by request