2054-0733 Screening compound: 2-(4-BROMOPHENYL)-2-OXOETHYL 2-(3

2054-0733 Screening compound: 2-(4-BROMOPHENYL)-2-OXOETHYL 2-(3
2054-0733 Screening compound: 2-(4-BROMOPHENYL)-2-OXOETHYL 2-(3 alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0733
2-(4-BROMOPHENYL)-2-OXOETHYL 2-(3

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

2054-0733

Molecular Formula

C20H20BrNO5 (C20 H20 BrNO5)

Compound Name

2-(4-BROMOPHENYL)-2-OXOETHYL 2-(3

IUPAC name

n/a

SMILES

CC(C(OCC(c(cc1)ccc1Br)=O)=O)N(C(C1C2C3CC1CC3)=O)C2=O

InChI

InChI=1S/C20H20BrNO5/c1-10(20(26)27-9-15(23)11-4-6-14(21)7-5-11)22-18(24)16-12-2-3-13(8-12)17(16)19(22)25/h4-7,10,12-13,16-17H,2-3,8-9H2,1H3

InChI Key

XSNLHIWRTQZZSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.44

Polar Surface Area

64.053

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

2054-0733 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Autophagy-Targeted Library (4564 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2054-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0733?
Check Price and Availability of 2054-0733, 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 2054-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0733
  • 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 2054-0733 available by request