4361-3377 Screening compound: (5Z)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione

4361-3377 Screening compound: (5Z)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
4361-3377 Screening compound: (5Z)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-3377
(5Z)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione

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

4361-3377

Molecular Formula

C21H16BrClN2O4 (C21 H16 BrClN2 O4)

Compound Name

(5Z)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione

IUPAC name

(5Z)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-chlorophenyl)methyl]imidazolidine-24-dione

SMILES

COc1cc(/C=C(/C(N2Cc(cc3)ccc3Cl)=O)\NC2=O)cc(Br)c1OCC#C

InChI

InChI=1S/C21H16BrClN2O4/c1-3-8-29-19-16(22)9-14(11-18(19)28-2)10-17-20(26)25(21(27)24-17)12-13-4-6-15(23)7-5-13/h1,4-7,9-11H,8,12H2,2H3,(H,24,27)

InChI Key

DYWNUXWJTWEZSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-4.80

Polar Surface Area

55.892

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4361-3377 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4361-3377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-3377?
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What is the minimum amount of 4361-3377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-3377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-3377
  • 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 4361-3377 available by request