8017-5545 Screening compound: 1-phenyl-1H-1,2,3,4-tetraazol-5-yl {3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)oxy]phenyl} ether

8017-5545 Screening compound: 1-phenyl-1H-1,2,3,4-tetraazol-5-yl {3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)oxy]phenyl} ether
8017-5545 Screening compound: 1-phenyl-1H-1,2,3,4-tetraazol-5-yl {3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)oxy]phenyl} ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5545
1-phenyl-1H-1,2,3,4-tetraazol-5-yl {3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)oxy]phenyl} ether

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

8017-5545

Molecular Formula

C20H14N8O2 (C20 H14 N8 O2)

Compound Name

1-phenyl-1H-1,2,3,4-tetraazol-5-yl {3-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)oxy]phenyl} ether

IUPAC name

1-phenyl-5-{3-[(1-phenyl-1H-1234-tetrazol-5-yl)oxy]phenoxy}-1H-1234-tetrazole

SMILES

c(cc1)ccc1-n1nnnc1Oc1cccc(Oc2nnnn2-c2ccccc2)c1

InChI

InChI=1S/C20H14N8O2/c1-3-8-15(9-4-1)27-19(21-23-25-27)29-17-12-7-13-18(14-17)30-20-22-24-26-28(20)16-10-5-2-6-11-16/h1-14H

InChI Key

NZIPGRQWQYIFCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-4.18

Polar Surface Area

93.015

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-5545 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-5545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5545?
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What is the minimum amount of 8017-5545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5545
  • 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 8017-5545 available by request