4545-0488 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione

4545-0488 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
4545-0488 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-0488
(5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxy-3-nitrophenyl)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

4545-0488

Molecular Formula

C17H12BrN3O5 (C17 H12 BrN3 O5)

Compound Name

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

IUPAC name

(5E)-3-[(4-bromophenyl)methyl]-5-[(4-hydroxy-3-nitrophenyl)methylidene]imidazolidine-24-dione

SMILES

[O-][N+](c(cc(/C=C(\C(N1Cc(cc2)ccc2Br)=O)/NC1=O)cc1)c1O)=O

InChI

InChI=1S/C17H12BrN3O5/c18-12-4-1-10(2-5-12)9-20-16(23)13(19-17(20)24)7-11-3-6-15(22)14(8-11)21(25)26/h1-8,22H,9H2,(H,19,24)

InChI Key

KZKOEKRPGBIJBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03140844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.2

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.81

Polar Surface Area

90.299

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 4545-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-0488?
Check Price and Availability of 4545-0488, 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 4545-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-0488
  • 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 4545-0488 available by request