8011-9481 Screening compound: 2-(4-methylphenyl)-4-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazole

8011-9481 Screening compound: 2-(4-methylphenyl)-4-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazole
8011-9481 Screening compound: 2-(4-methylphenyl)-4-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9481
2-(4-methylphenyl)-4-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazole

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

8011-9481

Molecular Formula

C21H18N2S2 (C21 H18 N2 S2)

Compound Name

2-(4-methylphenyl)-4-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazole

IUPAC name

2-(4-methylphenyl)-4-{[4-(4-methylphenyl)-13-thiazol-2-yl]methyl}-13-thiazole

SMILES

Cc(cc1)ccc1-c1csc(Cc2csc(-c3ccc(C)cc3)n2)n1

InChI

InChI=1S/C21H18N2S2/c1-14-3-7-16(8-4-14)19-13-24-20(23-19)11-18-12-25-21(22-18)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3

InChI Key

WTWOPSSKQZSHIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.057

Distribution Coefficient, logD

7.057

Water Solubility, LogSw

-5.91

Polar Surface Area

20.425

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8011-9481 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8011-9481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9481?
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What is the minimum amount of 8011-9481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9481
  • 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 8011-9481 available by request