Y080-1984 Screening compound: 2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzimidazole

Y080-1984 Screening compound: 2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzimidazole
Y080-1984 Screening compound: 2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1984
2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzimidazole

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

Y080-1984

Molecular Formula

C17H18N2OS (C17 H18 N2 OS)

Compound Name

2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-1,3-benzimidazole

IUPAC name

2-{[3-(3-methylphenoxy)propyl]sulfanyl}-1H-13-benzodiazole

SMILES

Cc1cccc(OCCCSc2nc(cccc3)c3[nH]2)c1

InChI

InChI=1S/C17H18N2OS/c1-13-6-4-7-14(12-13)20-10-5-11-21-17-18-15-8-2-3-9-16(15)19-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19)

InChI Key

DAHFXZPZJRHHDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04088710

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.32

Polar Surface Area

25.398

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y080-1984 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-1984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1984?
Check Price and Availability of Y080-1984, 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 Y080-1984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1984
  • 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 Y080-1984 available by request