8007-7671 Screening compound: N-(2-{[(4-{[(benzylcarbamoyl)methyl]sulfanyl}phenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-(decyloxy)benzamide

8007-7671 Screening compound: N-(2-{[(4-{[(benzylcarbamoyl)methyl]sulfanyl}phenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-(decyloxy)benzamide
8007-7671 Screening compound: N-(2-{[(4-{[(benzylcarbamoyl)methyl]sulfanyl}phenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-(decyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7671
N-(2-{[(4-{[(benzylcarbamoyl)methyl]sulfanyl}phenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-(decyloxy)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

8007-7671

Molecular Formula

C40H45N3O3S3 (C40 H45 N3 O3 S3)

Compound Name

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

IUPAC name

N-(2-{[(4-{[(benzylcarbamoyl)methyl]sulfanyl}phenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)-4-(decyloxy)benzamide

SMILES

CCCCCCCCCCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCc(cc1)ccc1SCC(NCc1ccccc1)=O)s2)=O

InChI

InChI=1S/C40H45N3O3S3/c1-2-3-4-5-6-7-8-12-25-46-34-20-17-32(18-21-34)39(45)42-33-19-24-36-37(26-33)49-40(43-36)48-28-31-15-22-35(23-16-31)47-29-38(44)41-27-30-13-10-9-11-14-30/h9-11,13-24,26H,2-8,12,25,27-29H2,1H3,(H,41,44)(H,42,45)

InChI Key

CHUZIGDQZXOQCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

712.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

22.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

10.925

Distribution Coefficient, logD

10.924

Water Solubility, LogSw

-5.62

Polar Surface Area

63.757

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.50

8007-7671 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 8007-7671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7671?
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What is the minimum amount of 8007-7671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7671
  • 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 8007-7671 available by request