3627-0136 Screening compound: 2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

3627-0136 Screening compound: 2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
3627-0136 Screening compound: 2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3627-0136
2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

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

3627-0136

Molecular Formula

C17H17N3OS2 (C17 H17 N3 OS2)

Compound Name

2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-[(5-methyl-1H-13-benzodiazol-2-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

Cc(cc1)cc2c1[nH]c(SCC(Nc1cc(SC)ccc1)=O)n2

InChI

InChI=1S/C17H17N3OS2/c1-11-6-7-14-15(8-11)20-17(19-14)23-10-16(21)18-12-4-3-5-13(9-12)22-2/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)

InChI Key

JMFVQJPFTLJCQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02008404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.87

Polar Surface Area

41.129

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3627-0136 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3627-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3627-0136?
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What is the minimum amount of 3627-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3627-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3627-0136
  • 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 3627-0136 available by request