8008-5768 Screening compound: 3-benzyl-5-[(1H-imidazol-5-yl)methyl]-2-sulfanylideneimidazolidin-4-one

8008-5768 Screening compound: 3-benzyl-5-[(1H-imidazol-5-yl)methyl]-2-sulfanylideneimidazolidin-4-one
8008-5768 Screening compound: 3-benzyl-5-[(1H-imidazol-5-yl)methyl]-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5768
3-benzyl-5-[(1H-imidazol-5-yl)methyl]-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

8008-5768

Molecular Formula

C14H14N4OS (C14 H14 N4 OS)

Compound Name

3-benzyl-5-[(1H-imidazol-5-yl)methyl]-2-sulfanylideneimidazolidin-4-one

IUPAC name

3-benzyl-5-[(1H-imidazol-5-yl)methyl]-2-sulfanylideneimidazolidin-4-one

SMILES

O=C(C(Cc1cnc[nH]1)N1)N(Cc2ccccc2)C1=S

InChI

InChI=1S/C14H14N4OS/c19-13-12(6-11-7-15-9-16-11)17-14(20)18(13)8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)/t12-/m1/s1

InChI Key

MDOXSVQSOAQGEG-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01305449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.040

Distribution Coefficient, logD

1.001

Water Solubility, LogSw

-1.90

Polar Surface Area

50.296

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8008-5768 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8008-5768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5768?
Check Price and Availability of 8008-5768, 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 8008-5768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5768
  • 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 8008-5768 available by request