4545-0625 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione

4545-0625 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
4545-0625 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-0625
(5E)-3-[(4-bromophenyl)methyl]-5-[(5-methylfuran-2-yl)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

4545-0625

Molecular Formula

C16H13BrN2O3 (C16 H13 BrN2 O3)

Compound Name

(5E)-3-[(4-bromophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione

IUPAC name

(5E)-3-[(4-bromophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-24-dione

SMILES

Cc1ccc(/C=C(\C(N2Cc(cc3)ccc3Br)=O)/NC2=O)o1

InChI

InChI=1S/C16H13BrN2O3/c1-10-2-7-13(22-10)8-14-15(20)19(16(21)18-14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,18,21)

InChI Key

YUORTNGXXABLQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.09

Polar Surface Area

47.933

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4545-0625 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4545-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-0625?
Check Price and Availability of 4545-0625, 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 4545-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-0625
  • 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 4545-0625 available by request