8008-9682 Screening compound: 4-(decyloxy)-N-[2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

8008-9682 Screening compound: 4-(decyloxy)-N-[2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
8008-9682 Screening compound: 4-(decyloxy)-N-[2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9682
4-(decyloxy)-N-[2-({[(2,6-dimethylphenyl)carbamoyl]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

8008-9682

Molecular Formula

C34H41N3O3S2 (C34 H41 N3 O3 S2)

Compound Name

4-(decyloxy)-N-[2-({[(2,6-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

IUPAC name

4-(decyloxy)-N-[2-({[(26-dimethylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

CCCCCCCCCCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc1c(C)cccc1C)=O)s2)=O

InChI

InChI=1S/C34H41N3O3S2/c1-4-5-6-7-8-9-10-11-21-40-28-18-15-26(16-19-28)33(39)35-27-17-20-29-30(22-27)42-34(36-29)41-23-31(38)37-32-24(2)13-12-14-25(32)3/h12-20,22H,4-11,21,23H2,1-3H3,(H,35,39)(H,37,38)

InChI Key

UASGDZKTXREOMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.786

Distribution Coefficient, logD

9.786

Water Solubility, LogSw

-5.55

Polar Surface Area

61.311

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.20

8008-9682 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8008-9682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9682?
Check Price and Availability of 8008-9682, 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 8008-9682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9682
  • 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 8008-9682 available by request