8001-5228 Screening compound: 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

8001-5228 Screening compound: 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
8001-5228 Screening compound: 5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-5228
5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

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

8001-5228

Molecular Formula

C23H17BrN2O2S (C23 H17 BrN2 O2 S)

Compound Name

5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

5-[2-(4-bromophenyl)-2-oxoethyl]-13-diphenyl-2-sulfanylideneimidazolidin-4-one

SMILES

O=C(CC(C(N(C1=S)c2ccccc2)=O)N1c1ccccc1)c(cc1)ccc1Br

InChI

InChI=1S/C23H17BrN2O2S/c24-17-13-11-16(12-14-17)21(27)15-20-22(28)26(19-9-5-2-6-10-19)23(29)25(20)18-7-3-1-4-8-18/h1-14,20H,15H2/t20-/m0/s1

InChI Key

ZSJGBXSGVTXCSJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00682233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.57

Polar Surface Area

30.883

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

8001-5228 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8001-5228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-5228?
Check Price and Availability of 8001-5228, 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 8001-5228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-5228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-5228
  • 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 8001-5228 available by request