7534-2801 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-[(quinolin-8-yl)carbamoyl]propanoate

7534-2801 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-[(quinolin-8-yl)carbamoyl]propanoate
7534-2801 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-[(quinolin-8-yl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7534-2801
2-(4-bromophenyl)-2-oxoethyl 3-[(quinolin-8-yl)carbamoyl]propanoate

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

7534-2801

Molecular Formula

C21H17BrN2O4 (C21 H17 BrN2 O4)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 3-[(quinolin-8-yl)carbamoyl]propanoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 3-[(quinolin-8-yl)carbamoyl]propanoate

SMILES

O=C(COC(CCC(Nc1cccc2cccnc12)=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C21H17BrN2O4/c22-16-8-6-14(7-9-16)18(25)13-28-20(27)11-10-19(26)24-17-5-1-3-15-4-2-12-23-21(15)17/h1-9,12H,10-11,13H2,(H,24,26)

InChI Key

HAFRIRVSDIUKEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03613882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.31

Polar Surface Area

65.733

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7534-2801 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7534-2801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7534-2801?
Check Price and Availability of 7534-2801, 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 7534-2801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7534-2801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7534-2801
  • 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 7534-2801 available by request