8001-9138 Screening compound: 2-(4-tert-butylphenyl)-1,3-benzothiazole

8001-9138 Screening compound: 2-(4-tert-butylphenyl)-1,3-benzothiazole
8001-9138 Screening compound: 2-(4-tert-butylphenyl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9138
2-(4-tert-butylphenyl)-1,3-benzothiazole

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

8001-9138

Molecular Formula

C17H17NS (C17 H17 NS)

Compound Name

2-(4-tert-butylphenyl)-1,3-benzothiazole

IUPAC name

2-(4-tert-butylphenyl)-13-benzothiazole

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cccc2)c2s1

InChI

InChI=1S/C17H17NS/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3

InChI Key

RBKGJKUWWDNBNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00433092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.39

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.008

Distribution Coefficient, logD

6.008

Water Solubility, LogSw

-5.90

Polar Surface Area

9.687

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8001-9138 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8001-9138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9138?
Check Price and Availability of 8001-9138, 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 8001-9138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9138
  • 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 8001-9138 available by request