5791-4644 Screening compound: (5Z)-3-cyclohexyl-5-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1-methyl-2-sulfanylideneimidazolidin-4-one

5791-4644 Screening compound: (5Z)-3-cyclohexyl-5-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1-methyl-2-sulfanylideneimidazolidin-4-one
5791-4644 Screening compound: (5Z)-3-cyclohexyl-5-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1-methyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5791-4644
(5Z)-3-cyclohexyl-5-{[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]methylidene}-1-methyl-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

5791-4644

Molecular Formula

C22H30N2O2S (C22 H30 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1cc(/C=C(/C(N2C3CCCCC3)=O)\N(C)C2=S)c(C)cc1OC

InChI

InChI=1S/C22H30N2O2S/c1-14(2)18-12-16(15(3)11-20(18)26-5)13-19-21(25)24(22(27)23(19)4)17-9-7-6-8-10-17/h11-14,17H,6-10H2,1-5H3

InChI Key

COFBSSUBRVBLCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-4.90

Polar Surface Area

24.765

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with 5791-4644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5791-4644?
Check Price and Availability of 5791-4644, 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 5791-4644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5791-4644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5791-4644
  • 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 5791-4644 available by request