4545-1426 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione

4545-1426 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
4545-1426 Screening compound: (5E)-3-[(4-bromophenyl)methyl]-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-1426
(5E)-3-[(4-bromophenyl)methyl]-5-[(2,7-dimethoxynaphthalen-1-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

4545-1426

Molecular Formula

C23H19BrN2O4 (C23 H19 BrN2 O4)

Compound Name

(5E)-3-[(4-bromophenyl)methyl]-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione

IUPAC name

(5E)-3-[(4-bromophenyl)methyl]-5-[(27-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-24-dione

SMILES

COc1ccc(ccc(OC)c2/C=C(\C(N3Cc(cc4)ccc4Br)=O)/NC3=O)c2c1

InChI

InChI=1S/C23H19BrN2O4/c1-29-17-9-5-15-6-10-21(30-2)19(18(15)11-17)12-20-22(27)26(23(28)25-20)13-14-3-7-16(24)8-4-14/h3-12H,13H2,1-2H3,(H,25,28)

InChI Key

MFCICXZQPPGPRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.389

Distribution Coefficient, logD

5.389

Water Solubility, LogSw

-5.90

Polar Surface Area

55.573

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4545-1426 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4545-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-1426?
Check Price and Availability of 4545-1426, 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 4545-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-1426
  • 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 4545-1426 available by request