4327-3111 Screening compound: 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]ethan-1-ol

4327-3111 Screening compound: 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]ethan-1-ol
4327-3111 Screening compound: 2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3111
2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]ethan-1-ol

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

4327-3111

Molecular Formula

C10H12N2OS (C10 H12 N2 OS)

Compound Name

2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]ethan-1-ol

IUPAC name

2-[2-(methylsulfanyl)-1H-13-benzodiazol-1-yl]ethan-1-ol

SMILES

CSc1nc(cccc2)c2n1CCO

InChI

InChI=1S/C10H12N2OS/c1-14-10-11-8-4-2-3-5-9(8)12(10)6-7-13/h2-5,13H,6-7H2,1H3

InChI Key

PLWXCEVAMRVDIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01022057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-1.84

Polar Surface Area

27.654

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4327-3111 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4327-3111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3111?
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What is the minimum amount of 4327-3111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3111
  • 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 4327-3111 available by request