C249-0199 Screening compound: (5Z)-3-(3-chloro-4-methoxyphenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C249-0199 Screening compound: (5Z)-3-(3-chloro-4-methoxyphenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
C249-0199 Screening compound: (5Z)-3-(3-chloro-4-methoxyphenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0199
(5Z)-3-(3-chloro-4-methoxyphenyl)-5-[(2-methylphenyl)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

C249-0199

Molecular Formula

C18H15ClN2O2S (C18 H15 ClN2 O2 S)

Compound Name

(5Z)-3-(3-chloro-4-methoxyphenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-3-(3-chloro-4-methoxyphenyl)-5-[(2-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

SMILES

Cc1c(/C=C(/C(N2c(cc3)cc(Cl)c3OC)=O)\NC2=S)cccc1

InChI

InChI=1S/C18H15ClN2O2S/c1-11-5-3-4-6-12(11)9-15-17(22)21(18(24)20-15)13-7-8-16(23-2)14(19)10-13/h3-10H,1-2H3,(H,20,24)

InChI Key

KLBAYBOHQSTWHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-4.39

Polar Surface Area

34.527

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C249-0199 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C249-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0199?
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What is the minimum amount of C249-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0199
  • 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 C249-0199 available by request