4361-0249 Screening compound: (5E)-5-({4-[(4-bromophenyl)methoxy]-3-iodophenyl}methylidene)imidazolidine-2,4-dione

4361-0249 Screening compound: (5E)-5-({4-[(4-bromophenyl)methoxy]-3-iodophenyl}methylidene)imidazolidine-2,4-dione
4361-0249 Screening compound: (5E)-5-({4-[(4-bromophenyl)methoxy]-3-iodophenyl}methylidene)imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-0249
(5E)-5-({4-[(4-bromophenyl)methoxy]-3-iodophenyl}methylidene)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

4361-0249

Molecular Formula

C17H12BrIN2O3 (C17 H12 BrIN2 O3)

Compound Name

(5E)-5-({4-[(4-bromophenyl)methoxy]-3-iodophenyl}methylidene)imidazolidine-2,4-dione

IUPAC name

(5E)-5-({4-[(4-bromophenyl)methoxy]-3-iodophenyl}methylidene)imidazolidine-24-dione

SMILES

O=C(/C(/N1)=C\c(cc2)cc(I)c2OCc(cc2)ccc2Br)NC1=O

InChI

InChI=1S/C17H12BrIN2O3/c18-12-4-1-10(2-5-12)9-24-15-6-3-11(7-13(15)19)8-14-16(22)21-17(23)20-14/h1-8H,9H2,(H2,20,21,22,23)

InChI Key

CMKRHMLCJIRIBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03728896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.55

Polar Surface Area

56.625

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4361-0249 in Drug Discovery

Included in Screening Libraries

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 4361-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-0249?
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What is the minimum amount of 4361-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-0249
  • 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 4361-0249 available by request