5777-0258 Screening compound: (5Z)-5-{[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylideneimidazolidin-4-one

5777-0258 Screening compound: (5Z)-5-{[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylideneimidazolidin-4-one
5777-0258 Screening compound: (5Z)-5-{[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-ethyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5777-0258
(5Z)-5-{[5-bromo-2-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-ethyl-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

5777-0258

Molecular Formula

C15H13BrN2O2S (C15 H13 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(/C(/N1)=C/c(cc(cc2)Br)c2OCC#C)=O)C1=S

InChI

InChI=1S/C15H13BrN2O2S/c1-3-7-20-13-6-5-11(16)8-10(13)9-12-14(19)18(4-2)15(21)17-12/h1,5-6,8-9H,4,7H2,2H3,(H,17,21)

InChI Key

QNQGGJFETWRAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03711346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.626

Water Solubility, LogSw

-3.83

Polar Surface Area

35.009

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5777-0258 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 5777-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5777-0258?
Check Price and Availability of 5777-0258, 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 5777-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5777-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5777-0258
  • 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 5777-0258 available by request