5789-1271 Screening compound: (5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

5789-1271 Screening compound: (5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
5789-1271 Screening compound: (5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5789-1271
(5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-1-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

5789-1271

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

(5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

SMILES

CN(/C(/C(N1C2CCCCC2)=O)=C\c(cccc2)c2OC)C1=S

InChI

InChI=1S/C18H22N2O2S/c1-19-15(12-13-8-6-7-11-16(13)22-2)17(21)20(18(19)23)14-9-4-3-5-10-14/h6-8,11-12,14H,3-5,9-10H2,1-2H3

InChI Key

VNKNAMHQNPPMRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

3.747

Water Solubility, LogSw

-4.03

Polar Surface Area

24.765

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

5789-1271 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5789-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5789-1271?
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What is the minimum amount of 5789-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5789-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5789-1271
  • 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 5789-1271 available by request