8018-6568 Screening compound: (2-phenyl-1,3-thiazol-4-yl)methyl [3-(1H-1,2,3,4-tetraazol-1-yl)phenyl] ether

8018-6568 Screening compound: (2-phenyl-1,3-thiazol-4-yl)methyl [3-(1H-1,2,3,4-tetraazol-1-yl)phenyl] ether
8018-6568 Screening compound: (2-phenyl-1,3-thiazol-4-yl)methyl [3-(1H-1,2,3,4-tetraazol-1-yl)phenyl] ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6568
(2-phenyl-1,3-thiazol-4-yl)methyl [3-(1H-1,2,3,4-tetraazol-1-yl)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

8018-6568

Molecular Formula

C17H13N5OS (C17 H13 N5 OS)

Compound Name

(2-phenyl-1,3-thiazol-4-yl)methyl [3-(1H-1,2,3,4-tetraazol-1-yl)phenyl] ether

IUPAC name

1-{3-[(2-phenyl-13-thiazol-4-yl)methoxy]phenyl}-1H-1234-tetrazole

SMILES

C(c1csc(-c2ccccc2)n1)Oc1cc(-n2nnnc2)ccc1

InChI

InChI=1S/C17H13N5OS/c1-2-5-13(6-3-1)17-19-14(11-24-17)10-23-16-8-4-7-15(9-16)22-12-18-20-21-22/h1-9,11-12H,10H2

InChI Key

PFGSMZHHBDYEAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.20

Polar Surface Area

57.461

Acid Dissociation Constant (pKa)

32.15

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8018-6568 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 8018-6568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6568?
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What is the minimum amount of 8018-6568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6568
  • 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 8018-6568 available by request