8008-9652 Screening compound: 4-butoxy-N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

8008-9652 Screening compound: 4-butoxy-N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
8008-9652 Screening compound: 4-butoxy-N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9652
4-butoxy-N-[2-({[(4-butoxyphenyl)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

8008-9652

Molecular Formula

C30H33N3O4S2 (C30 H33 N3 O4 S2)

Compound Name

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

IUPAC name

4-butoxy-N-[2-({[(4-butoxyphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

CCCCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc(cc1)ccc1OCCCC)=O)s2)=O

InChI

InChI=1S/C30H33N3O4S2/c1-3-5-17-36-24-12-7-21(8-13-24)29(35)32-23-11-16-26-27(19-23)39-30(33-26)38-20-28(34)31-22-9-14-25(15-10-22)37-18-6-4-2/h7-16,19H,3-6,17-18,20H2,1-2H3,(H,31,34)(H,32,35)

InChI Key

TYBJQGSKCFKWQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01420413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.004

Distribution Coefficient, logD

8.004

Water Solubility, LogSw

-5.56

Polar Surface Area

70.124

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8008-9652 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 8008-9652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9652?
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What is the minimum amount of 8008-9652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9652
  • 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 8008-9652 available by request