8008-5822 Screening compound: N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

8008-5822 Screening compound: N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
8008-5822 Screening compound: N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5822
N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

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

8008-5822

Molecular Formula

C25H24N2OS2 (C25 H24 N2 OS2)

Compound Name

N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

N-(2-{[(4-tert-butylphenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

CC(C)(C)c1ccc(CSc2nc(ccc(NC(c3ccccc3)=O)c3)c3s2)cc1

InChI

InChI=1S/C25H24N2OS2/c1-25(2,3)19-11-9-17(10-12-19)16-29-24-27-21-14-13-20(15-22(21)30-24)26-23(28)18-7-5-4-6-8-18/h4-15H,16H2,1-3H3,(H,26,28)

InChI Key

BAAKUUZTYJLECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.154

Distribution Coefficient, logD

7.153

Water Solubility, LogSw

-5.64

Polar Surface Area

32.140

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8008-5822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5822?
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What is the minimum amount of 8008-5822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5822
  • 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 8008-5822 available by request