5789-2721 Screening compound: methyl 2-(4-{[(4Z)-1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

5789-2721 Screening compound: methyl 2-(4-{[(4Z)-1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate
5789-2721 Screening compound: methyl 2-(4-{[(4Z)-1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5789-2721
methyl 2-(4-{[(4Z)-1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

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

5789-2721

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

methyl 2-(4-{[(4Z)-1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

IUPAC name

methyl 2-(4-{[(4Z)-1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetate

SMILES

CN(/C(/C(N1C2CCCCC2)=O)=C\c(cc2)ccc2OCC(OC)=O)C1=S

InChI

InChI=1S/C20H24N2O4S/c1-21-17(19(24)22(20(21)27)15-6-4-3-5-7-15)12-14-8-10-16(11-9-14)26-13-18(23)25-2/h8-12,15H,3-7,13H2,1-2H3

InChI Key

NGHLVTHXENDCPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.11

Polar Surface Area

45.213

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

5789-2721 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 5789-2721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5789-2721?
Check Price and Availability of 5789-2721, 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 5789-2721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5789-2721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5789-2721
  • 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 5789-2721 available by request