5777-0283 Screening compound: 4-[(2-chloro-4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

5777-0283 Screening compound: 4-[(2-chloro-4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid
5777-0283 Screening compound: 4-[(2-chloro-4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5777-0283
4-[(2-chloro-4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

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

5777-0283

Molecular Formula

C20H17ClN2O4S (C20 H17 ClN2 O4 S)

Compound Name

4-[(2-chloro-4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

IUPAC name

4-[(2-chloro-4-{[(4Z)-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzoic acid

SMILES

CCN(C(/C(/N1)=C/c(cc2)cc(Cl)c2OCc(cc2)ccc2C(O)=O)=O)C1=S

InChI

InChI=1S/C20H17ClN2O4S/c1-2-23-18(24)16(22-20(23)28)10-13-5-8-17(15(21)9-13)27-11-12-3-6-14(7-4-12)19(25)26/h3-10H,2,11H2,1H3,(H,22,28)(H,25,26)

InChI Key

QHJTZWTWZNWPJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

1.271

Water Solubility, LogSw

-4.49

Polar Surface Area

63.227

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5777-0283 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5777-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5777-0283?
Check Price and Availability of 5777-0283, 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 5777-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5777-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5777-0283
  • 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 5777-0283 available by request