5792-7931 Screening compound: (5Z)-3-cyclohexyl-1-methyl-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

5792-7931 Screening compound: (5Z)-3-cyclohexyl-1-methyl-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
5792-7931 Screening compound: (5Z)-3-cyclohexyl-1-methyl-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5792-7931
(5Z)-3-cyclohexyl-1-methyl-5-{[4-(pyrrolidin-1-yl)phenyl]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

5792-7931

Molecular Formula

C21H27N3OS (C21 H27 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CN(/C(/C(N1C2CCCCC2)=O)=C\c(cc2)ccc2N2CCCC2)C1=S

InChI

InChI=1S/C21H27N3OS/c1-22-19(20(25)24(21(22)26)18-7-3-2-4-8-18)15-16-9-11-17(12-10-16)23-13-5-6-14-23/h9-12,15,18H,2-8,13-14H2,1H3

InChI Key

XOSYEQUDXFVFFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.13

Polar Surface Area

20.953

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

5792-7931 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5792-7931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5792-7931?
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What is the minimum amount of 5792-7931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5792-7931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5792-7931
  • 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 5792-7931 available by request