8016-2858 Screening compound: 1-methyl-3-(9H-xanthen-9-yl)-2,3-dihydro-1H-imidazole-2-thione

8016-2858 Screening compound: 1-methyl-3-(9H-xanthen-9-yl)-2,3-dihydro-1H-imidazole-2-thione
8016-2858 Screening compound: 1-methyl-3-(9H-xanthen-9-yl)-2,3-dihydro-1H-imidazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2858
1-methyl-3-(9H-xanthen-9-yl)-2,3-dihydro-1H-imidazole-2-thione

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

8016-2858

Molecular Formula

C17H14N2OS (C17 H14 N2 OS)

Compound Name

1-methyl-3-(9H-xanthen-9-yl)-2,3-dihydro-1H-imidazole-2-thione

IUPAC name

1-methyl-3-(9H-xanthen-9-yl)-23-dihydro-1H-imidazole-2-thione

SMILES

CN(C=CN1C2c(cccc3)c3Oc3c2cccc3)C1=S

InChI

InChI=1S/C17H14N2OS/c1-18-10-11-19(17(18)21)16-12-6-2-4-8-14(12)20-15-9-5-3-7-13(15)16/h2-11,16H,1H3

InChI Key

JHESFUIZJXMVHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.677

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-2.95

Polar Surface Area

10.419

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8016-2858 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2858?
Check Price and Availability of 8016-2858, 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 8016-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2858
  • 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 8016-2858 available by request