2413-0122 Screening compound: 1-(4-bromophenyl)-3-(2,3-diphenylquinoxalin-6-yl)urea

2413-0122 Screening compound: 1-(4-bromophenyl)-3-(2,3-diphenylquinoxalin-6-yl)urea
2413-0122 Screening compound: 1-(4-bromophenyl)-3-(2,3-diphenylquinoxalin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 2413-0122
1-(4-bromophenyl)-3-(2,3-diphenylquinoxalin-6-yl)urea

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

2413-0122

Molecular Formula

C27H19BrN4O (C27 H19 BrN4 O)

Compound Name

1-(4-bromophenyl)-3-(2,3-diphenylquinoxalin-6-yl)urea

IUPAC name

1-(4-bromophenyl)-3-(23-diphenylquinoxalin-6-yl)urea

SMILES

O=C(Nc(cc1)ccc1Br)Nc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1

InChI

InChI=1S/C27H19BrN4O/c28-20-11-13-21(14-12-20)29-27(33)30-22-15-16-23-24(17-22)32-26(19-9-5-2-6-10-19)25(31-23)18-7-3-1-4-8-18/h1-17H,(H2,29,30,33)

InChI Key

HLXYCMSUXDQYJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02170939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.174

Distribution Coefficient, logD

7.174

Water Solubility, LogSw

-6.14

Polar Surface Area

50.472

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2413-0122 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2413-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2413-0122?
Check Price and Availability of 2413-0122, 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 2413-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2413-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2413-0122
  • 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 2413-0122 available by request