8009-8594 Screening compound: 3-{[2-(benzylsulfanyl)acetyl]amino}-N~1~-isobutylbenzamide

8009-8594 Screening compound: 3-{[2-(benzylsulfanyl)acetyl]amino}-N~1~-isobutylbenzamide
8009-8594 Screening compound: 3-{[2-(benzylsulfanyl)acetyl]amino}-N~1~-isobutylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8594
3-{[2-(benzylsulfanyl)acetyl]amino}-N~1~-isobutylbenzamide

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

8009-8594

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

3-{[2-(benzylsulfanyl)acetyl]amino}-N~1~-isobutylbenzamide

IUPAC name

3-[2-(benzylsulfanyl)acetamido]-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1cccc(NC(CSCc2ccccc2)=O)c1)=O

InChI

InChI=1S/C20H24N2O2S/c1-15(2)12-21-20(24)17-9-6-10-18(11-17)22-19(23)14-25-13-16-7-4-3-5-8-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)

InChI Key

DCUBPRDHQBUXQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.16

Polar Surface Area

47.801

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8009-8594 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-8594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8594?
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What is the minimum amount of 8009-8594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8594
  • 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 8009-8594 available by request