5789-1149 Screening compound: (5Z)-3-cyclohexyl-1-methyl-5-{[3-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one

5789-1149 Screening compound: (5Z)-3-cyclohexyl-1-methyl-5-{[3-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
5789-1149 Screening compound: (5Z)-3-cyclohexyl-1-methyl-5-{[3-methyl-4-(pyrrolidin-1-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5789-1149
(5Z)-3-cyclohexyl-1-methyl-5-{[3-methyl-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

5789-1149

Molecular Formula

C22H29N3OS (C22 H29 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(/C=C(/C(N1C2CCCCC2)=O)\N(C)C1=S)cc1)c1N1CCCC1

InChI

InChI=1S/C22H29N3OS/c1-16-14-17(10-11-19(16)24-12-6-7-13-24)15-20-21(26)25(22(27)23(20)2)18-8-4-3-5-9-18/h10-11,14-15,18H,3-9,12-13H2,1-2H3

InChI Key

ITAKUZKATXGXCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.56

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

4.838

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.57

Polar Surface Area

20.652

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with 5789-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5789-1149?
Check Price and Availability of 5789-1149, 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 5789-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5789-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5789-1149
  • 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 5789-1149 available by request