C249-0196 Screening compound: (5Z)-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]imidazolidin-4-one

C249-0196 Screening compound: (5Z)-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]imidazolidin-4-one
C249-0196 Screening compound: (5Z)-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]imidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0196
(5Z)-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]imidazolidin-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

C249-0196

Molecular Formula

C15H11ClN2O2S2 (C15 H11 ClN2 O2 S2)

Compound Name

(5Z)-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]imidazolidin-4-one

IUPAC name

(5Z)-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-5-[(thiophen-3-yl)methylidene]imidazolidin-4-one

SMILES

COc(ccc(N(C(/C(/N1)=C/c2cscc2)=O)C1=S)c1)c1Cl

InChI

InChI=1S/C15H11ClN2O2S2/c1-20-13-3-2-10(7-11(13)16)18-14(19)12(17-15(18)21)6-9-4-5-22-8-9/h2-8H,1H3,(H,17,21)

InChI Key

CVHMPYSKKOPCCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.85

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

3.357

Distribution Coefficient, logD

3.138

Water Solubility, LogSw

-3.78

Polar Surface Area

35.545

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C249-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0196?
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What is the minimum amount of C249-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0196
  • 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 C249-0196 available by request