D201-0066 Screening compound: 1-{[1,1'-biphenyl]-4-yl}-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-ol

D201-0066 Screening compound: 1-{[1,1'-biphenyl]-4-yl}-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-ol
D201-0066 Screening compound: 1-{[1,1'-biphenyl]-4-yl}-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D201-0066
1-{[1,1'-biphenyl]-4-yl}-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]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

D201-0066

Molecular Formula

C18H18N2OS (C18 H18 N2 OS)

Compound Name

1-{[1,1'-biphenyl]-4-yl}-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-ol

IUPAC name

1-{[11'-biphenyl]-4-yl}-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethan-1-ol

SMILES

Cn1c(SCC(c(cc2)ccc2-c2ccccc2)O)ncc1

InChI

InChI=1S/C18H18N2OS/c1-20-12-11-19-18(20)22-13-17(21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,17,21H,13H2,1H3/t17-/m0/s1

InChI Key

HTFPHFLLNAYUTR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD04052457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.64

Polar Surface Area

28.766

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D201-0066 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D201-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D201-0066?
Check Price and Availability of D201-0066, 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 D201-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D201-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D201-0066
  • 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 D201-0066 available by request