8005-2226 Screening compound: 2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole

8005-2226 Screening compound: 2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole
8005-2226 Screening compound: 2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2226
2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-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

8005-2226

Molecular Formula

C18H18BrNS2 (C18 H18 BrNS2)

Compound Name

2-{[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]sulfanyl}-1,3-benzothiazole

IUPAC name

2-{[(4-bromo-2356-tetramethylphenyl)methyl]sulfanyl}-13-benzothiazole

SMILES

Cc1c(C)c(Br)c(C)c(C)c1CSc1nc(cccc2)c2s1

InChI

InChI=1S/C18H18BrNS2/c1-10-12(3)17(19)13(4)11(2)14(10)9-21-18-20-15-7-5-6-8-16(15)22-18/h5-8H,9H2,1-4H3

InChI Key

ZJIICKAPXCLSEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.151

Distribution Coefficient, logD

7.151

Water Solubility, LogSw

-5.99

Polar Surface Area

9.048

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8005-2226 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8005-2226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2226?
Check Price and Availability of 8005-2226, 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 8005-2226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2226
  • 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 8005-2226 available by request