2049-0695 Screening compound: (5Z)-5-[(6-methylpyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

2049-0695 Screening compound: (5Z)-5-[(6-methylpyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
2049-0695 Screening compound: (5Z)-5-[(6-methylpyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2049-0695
(5Z)-5-[(6-methylpyridin-2-yl)methylidene]-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

2049-0695

Molecular Formula

C10H9N3OS (C10 H9 N3 OS)

Compound Name

(5Z)-5-[(6-methylpyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-[(6-methylpyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

SMILES

Cc1cccc(/C=C(/C(N2)=O)\NC2=S)n1

InChI

InChI=1S/C10H9N3OS/c1-6-3-2-4-7(11-6)5-8-9(14)13-10(15)12-8/h2-5H,1H3,(H2,12,13,14,15)

InChI Key

JBIFLTMIZNUJHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.155

Distribution Coefficient, logD

1.092

Water Solubility, LogSw

-2.14

Polar Surface Area

45.211

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2049-0695 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2049-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2049-0695?
Check Price and Availability of 2049-0695, 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 2049-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2049-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2049-0695
  • 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 2049-0695 available by request