E595-0064 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazol-5-amine

E595-0064 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazol-5-amine
E595-0064 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E595-0064
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(5-chloro-2-methoxyphenyl)-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

E595-0064

Molecular Formula

C18H13ClN6O4 (C18 H13 ClN6 O4)

Compound Name

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

IUPAC name

4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1-(5-chloro-2-methoxyphenyl)-1H-123-triazol-5-amine

SMILES

COc(ccc(Cl)c1)c1-n1nnc(-c2nc(-c(cc3)cc4c3OCO4)no2)c1N

InChI

InChI=1S/C18H13ClN6O4/c1-26-12-5-3-10(19)7-11(12)25-16(20)15(22-24-25)18-21-17(23-29-18)9-2-4-13-14(6-9)28-8-27-13/h2-7H,8,20H2,1H3

InChI Key

BJNKPGILQXBZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-3.79

Polar Surface Area

102.183

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E595-0064 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Inflammatory Library (24602 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E595-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E595-0064?
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What is the minimum amount of E595-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E595-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E595-0064
  • 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 E595-0064 available by request