2083-1945 Screening compound: (5Z)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

2083-1945 Screening compound: (5Z)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
2083-1945 Screening compound: (5Z)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1945
(5Z)-5-{[4-(morpholin-4-yl)phenyl]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

2083-1945

Molecular Formula

C14H15N3O2S (C14 H15 N3 O2 S)

Compound Name

(5Z)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

O=C(/C(/N1)=C/c(cc2)ccc2N2CCOCC2)NC1=S

InChI

InChI=1S/C14H15N3O2S/c18-13-12(15-14(20)16-13)9-10-1-3-11(4-2-10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H2,15,16,18,20)

InChI Key

WLCWIEPYXAHXOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.445

Distribution Coefficient, logD

1.424

Water Solubility, LogSw

-2.29

Polar Surface Area

47.655

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2083-1945 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2083-1945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1945?
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What is the minimum amount of 2083-1945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1945
  • 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 2083-1945 available by request