5792-6977 Screening compound: 5-{(Z)-1-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylidene}-3-propyl-2-thioxodihydro-1H-imidazol-4-one

5792-6977 Screening compound: 5-{(Z)-1-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylidene}-3-propyl-2-thioxodihydro-1H-imidazol-4-one
5792-6977 Screening compound: 5-{(Z)-1-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylidene}-3-propyl-2-thioxodihydro-1H-imidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5792-6977
5-{(Z)-1-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylidene}-3-propyl-2-thioxodihydro-1H-imidazol-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

5792-6977

Molecular Formula

C18H23N3OS (C18 H23 N3 OS)

Compound Name

5-{(Z)-1-[3-methyl-4-(1-pyrrolidinyl)phenyl]methylidene}-3-propyl-2-thioxodihydro-1H-imidazol-4-one

IUPAC name

(5Z)-5-{[3-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}-3-propyl-2-sulfanylideneimidazolidin-4-one

SMILES

CCCN(C(/C(/N1)=C/c(cc2)cc(C)c2N2CCCC2)=O)C1=S

InChI

InChI=1S/C18H23N3OS/c1-3-8-21-17(22)15(19-18(21)23)12-14-6-7-16(13(2)11-14)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,23)

InChI Key

SKJLXRJWQHETDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03784213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.199

Distribution Coefficient, logD

4.198

Water Solubility, LogSw

-4.19

Polar Surface Area

31.275

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

5792-6977 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 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 5792-6977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5792-6977?
Check Price and Availability of 5792-6977, 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 5792-6977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5792-6977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5792-6977
  • 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 5792-6977 available by request