8020-6075 Screening compound: 2-[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]phenol

8020-6075 Screening compound: 2-[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]phenol
8020-6075 Screening compound: 2-[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6075
2-[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]phenol

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

8020-6075

Molecular Formula

C18H14N4OS (C18 H14 N4 OS)

Compound Name

2-[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]phenol

IUPAC name

2-[3-methyl-1-(4-phenyl-13-thiazol-2-yl)-1H-124-triazol-5-yl]phenol

SMILES

Cc(nc1-c(cccc2)c2O)nn1-c1nc(-c2ccccc2)cs1

InChI

InChI=1S/C18H14N4OS/c1-12-19-17(14-9-5-6-10-16(14)23)22(21-12)18-20-15(11-24-18)13-7-3-2-4-8-13/h2-11,23H,1H3

InChI Key

PQFYGHMLAKSBGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22391834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.137

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-4.85

Polar Surface Area

49.599

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

8020-6075 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8020-6075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6075?
Check Price and Availability of 8020-6075, 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 8020-6075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6075
  • 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 8020-6075 available by request