Y080-1905 Screening compound: 5-methyl-1H-1,3-benzimidazol-2-yl (2-naphthylmethyl) sulfide

Y080-1905 Screening compound: 5-methyl-1H-1,3-benzimidazol-2-yl (2-naphthylmethyl) sulfide
Y080-1905 Screening compound: 5-methyl-1H-1,3-benzimidazol-2-yl (2-naphthylmethyl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1905
5-methyl-1H-1,3-benzimidazol-2-yl (2-naphthylmethyl) sulfide

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

Y080-1905

Molecular Formula

C19H16N2S (C19 H16 N2 S)

Compound Name

5-methyl-1H-1,3-benzimidazol-2-yl (2-naphthylmethyl) sulfide

IUPAC name

5-methyl-2-{[(naphthalen-2-yl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc(cc1)cc2c1[nH]c(SCc1cc3ccccc3cc1)n2

InChI

InChI=1S/C19H16N2S/c1-13-6-9-17-18(10-13)21-19(20-17)22-12-14-7-8-15-4-2-3-5-16(15)11-14/h2-11H,12H2,1H3,(H,20,21)

InChI Key

SFEDSNOYVGUNKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04218323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.221

Water Solubility, LogSw

-5.91

Polar Surface Area

17.708

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

Y080-1905 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y080-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1905?
Check Price and Availability of Y080-1905, 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 Y080-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1905
  • 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 Y080-1905 available by request