Y080-0227 Screening compound: 1-[(2,6-dichlorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole

Y080-0227 Screening compound: 1-[(2,6-dichlorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
Y080-0227 Screening compound: 1-[(2,6-dichlorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0227
1-[(2,6-dichlorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole

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

Y080-0227

Molecular Formula

C18H12Cl2N2S (C18 H12 Cl2 N2 S)

Compound Name

1-[(2,6-dichlorophenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole

IUPAC name

1-[(26-dichlorophenyl)methyl]-2-(thiophen-2-yl)-1H-13-benzodiazole

SMILES

Clc1cccc(Cl)c1Cn1c(-c2cccs2)nc2c1cccc2

InChI

InChI=1S/C18H12Cl2N2S/c19-13-5-3-6-14(20)12(13)11-22-16-8-2-1-7-15(16)21-18(22)17-9-4-10-23-17/h1-10H,11H2

InChI Key

MTYQUGQBJDCTLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.28

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.367

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-6.53

Polar Surface Area

10.914

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

Y080-0227 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y080-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0227?
Check Price and Availability of Y080-0227, 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 Y080-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0227
  • 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 Y080-0227 available by request