0558-0046 Screening compound: 2-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazolidine

0558-0046 Screening compound: 2-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazolidine
0558-0046 Screening compound: 2-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0558-0046
2-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazolidine

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

0558-0046

Molecular Formula

C21H17BrCl2N2 (C21 H17 BrCl2 N2)

Compound Name

2-(4-bromophenyl)-1,3-bis(4-chlorophenyl)imidazolidine

IUPAC name

2-(4-bromophenyl)-13-bis(4-chlorophenyl)imidazolidine

SMILES

Clc(cc1)ccc1N(CC1)C(c(cc2)ccc2Br)N1c(cc1)ccc1Cl

InChI

InChI=1S/C21H17BrCl2N2/c22-16-3-1-15(2-4-16)21-25(19-9-5-17(23)6-10-19)13-14-26(21)20-11-7-18(24)8-12-20/h1-12,21H,13-14H2

InChI Key

MFTHTKHBWUPRLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.19

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.189

Distribution Coefficient, logD

7.189

Water Solubility, LogSw

-7.11

Polar Surface Area

6.187

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0558-0046 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 0558-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0558-0046?
Check Price and Availability of 0558-0046, 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 0558-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0558-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0558-0046
  • 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 0558-0046 available by request