8008-3038 Screening compound: 4-(decyloxy)-N~1~-(2-{[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

8008-3038 Screening compound: 4-(decyloxy)-N~1~-(2-{[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
8008-3038 Screening compound: 4-(decyloxy)-N~1~-(2-{[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3038
4-(decyloxy)-N~1~-(2-{[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethyl]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

8008-3038

Molecular Formula

C38H39N3O4S2 (C38 H39 N3 O4 S2)

Compound Name

4-(decyloxy)-N~1~-(2-{[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

4-(decyloxy)-N-(2-{[({8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaen-5-yl}carbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

CCCCCCCCCCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc(cc1)cc3c1c(cccc1)c1o3)=O)s2)=O

InChI

InChI=1S/C38H39N3O4S2/c1-2-3-4-5-6-7-8-11-22-44-29-18-14-26(15-19-29)37(43)40-28-17-21-32-35(24-28)47-38(41-32)46-25-36(42)39-27-16-20-31-30-12-9-10-13-33(30)45-34(31)23-27/h9-10,12-21,23-24H,2-8,11,22,25H2,1H3,(H,39,42)(H,40,43)

InChI Key

GQKYYAWUWBEJOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01203903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

665.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

11.737

Distribution Coefficient, logD

11.736

Water Solubility, LogSw

-5.89

Polar Surface Area

70.621

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.90

8008-3038 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 8008-3038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3038?
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What is the minimum amount of 8008-3038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3038
  • 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 8008-3038 available by request