5777-0623 Screening compound: (5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-ethoxyphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

5777-0623 Screening compound: (5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-ethoxyphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one
5777-0623 Screening compound: (5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-ethoxyphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5777-0623
(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-ethoxyphenyl)-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

5777-0623

Molecular Formula

C22H19ClN2O3S (C22 H19 ClN2 O3 S)

Compound Name

(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-ethoxyphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-(4-ethoxyphenyl)-1-methyl-2-sulfanylideneimidazolidin-4-one

SMILES

CCOc(cc1)ccc1N(C(/C(/N1C)=C/c(cc2)cc(Cl)c2OCC#C)=O)C1=S

InChI

InChI=1S/C22H19ClN2O3S/c1-4-12-28-20-11-6-15(13-18(20)23)14-19-21(26)25(22(29)24(19)3)16-7-9-17(10-8-16)27-5-2/h1,6-11,13-14H,5,12H2,2-3H3

InChI Key

RCDCGKBGLSCYBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.56

Polar Surface Area

31.929

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5777-0623 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5777-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5777-0623?
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What is the minimum amount of 5777-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5777-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5777-0623
  • 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 5777-0623 available by request