5864-3907 Screening compound: (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

5864-3907 Screening compound: (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
5864-3907 Screening compound: (5Z)-5-{[4-(diethylamino)phenyl]methylidene}-1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5864-3907
(5Z)-5-{[4-(diethylamino)phenyl]methylidene}-1-(4-methylphenyl)-3-phenyl-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

5864-3907

Molecular Formula

C27H27N3OS (C27 H27 N3 OS)

Compound Name

(5Z)-5-{[4-(diethylamino)phenyl]methylidene}-1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-{[4-(diethylamino)phenyl]methylidene}-1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

SMILES

CCN(CC)c1ccc(/C=C(/C(N(C2=S)c3ccccc3)=O)\N2c2ccc(C)cc2)cc1

InChI

InChI=1S/C27H27N3OS/c1-4-28(5-2)22-17-13-21(14-18-22)19-25-26(31)30(23-9-7-6-8-10-23)27(32)29(25)24-15-11-20(3)12-16-24/h6-19H,4-5H2,1-3H3

InChI Key

SLBQXFCHXRLJPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04023065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.563

Distribution Coefficient, logD

5.561

Water Solubility, LogSw

-5.47

Polar Surface Area

19.389

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

5864-3907 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5864-3907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5864-3907?
Check Price and Availability of 5864-3907, 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 5864-3907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5864-3907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5864-3907
  • 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 5864-3907 available by request