8018-4072 Screening compound: 4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

8018-4072 Screening compound: 4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
8018-4072 Screening compound: 4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4072
4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-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

8018-4072

Molecular Formula

C16H19N5O5 (C16 H19 N5 O5)

Compound Name

4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

IUPAC name

4-[5-(345-triethoxyphenyl)-124-oxadiazol-3-yl]-125-oxadiazol-3-amine

SMILES

CCOc1cc(-c2nc(-c3nonc3N)no2)cc(OCC)c1OCC

InChI

InChI=1S/C16H19N5O5/c1-4-22-10-7-9(8-11(23-5-2)13(10)24-6-3)16-18-15(21-25-16)12-14(17)20-26-19-12/h7-8H,4-6H2,1-3H3,(H2,17,20)

InChI Key

REOSUHVPWUPEDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-2.94

Polar Surface Area

110.447

Acid Dissociation Constant (pKa)

18.94

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8018-4072 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-4072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4072?
Check Price and Availability of 8018-4072, 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 8018-4072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4072
  • 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 8018-4072 available by request