5786-2080 Screening compound: 1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-2-thiol

5786-2080 Screening compound: 1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-2-thiol
5786-2080 Screening compound: 1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-2080
1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-2-thiol

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

5786-2080

Molecular Formula

C15H14N2S (C15 H14 N2 S)

Compound Name

1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazole-2-thiol

IUPAC name

1-[(2-methylphenyl)methyl]-1H-13-benzodiazole-2-thiol

SMILES

Cc1c(Cn2c(S)nc3c2cccc3)cccc1

InChI

InChI=1S/C15H14N2S/c1-11-6-2-3-7-12(11)10-17-14-9-5-4-8-13(14)16-15(17)18/h2-9H,10H2,1H3,(H,16,18)

InChI Key

NCYUAELAOBQQKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03719848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.40

Polar Surface Area

9.223

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 5786-2080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-2080?
Check Price and Availability of 5786-2080, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5786-2080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-2080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-2080
  • 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 5786-2080 available by request