8018-0808 Screening compound: ethyl 5-[(diethylamino)methyl]-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate

8018-0808 Screening compound: ethyl 5-[(diethylamino)methyl]-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
8018-0808 Screening compound: ethyl 5-[(diethylamino)methyl]-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0808
ethyl 5-[(diethylamino)methyl]-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate

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

8018-0808

Molecular Formula

C18H22N6O3 (C18 H22 N6 O3)

Compound Name

ethyl 5-[(diethylamino)methyl]-1-(4-phenyl-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 5-[(diethylamino)methyl]-1-(4-phenyl-125-oxadiazol-3-yl)-1H-123-triazole-4-carboxylate

SMILES

CCN(CC)Cc1c(C(OCC)=O)nnn1-c1nonc1-c1ccccc1

InChI

InChI=1S/C18H22N6O3/c1-4-23(5-2)12-14-16(18(25)26-6-3)19-22-24(14)17-15(20-27-21-17)13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3

InChI Key

VKCQXLNILYMBCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.093

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-2.91

Polar Surface Area

86.828

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

8018-0808 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8018-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0808?
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What is the minimum amount of 8018-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0808
  • 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 8018-0808 available by request