8007-7672 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-(decyloxy)benzamide

8007-7672 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-(decyloxy)benzamide
8007-7672 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-(decyloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7672
N-[2-({[(4-acetylphenyl)carbamoyl]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

8007-7672

Molecular Formula

C34H39N3O4S2 (C34 H39 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C34H39N3O4S2/c1-3-4-5-6-7-8-9-10-21-41-29-18-13-26(14-19-29)33(40)36-28-17-20-30-31(22-28)43-34(37-30)42-23-32(39)35-27-15-11-25(12-16-27)24(2)38/h11-20,22H,3-10,21,23H2,1-2H3,(H,35,39)(H,36,40)

InChI Key

GLJZSTXSEBJYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

9.144

Distribution Coefficient, logD

9.143

Water Solubility, LogSw

-5.54

Polar Surface Area

76.533

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

8007-7672 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)

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
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8007-7672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7672?
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What is the minimum amount of 8007-7672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7672
  • 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 8007-7672 available by request