R052-1061 Screening compound: 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid

R052-1061 Screening compound: 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid
R052-1061 Screening compound: 2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-1061
2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid

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

R052-1061

Molecular Formula

C14H8BrNO2S (C14 H8 BrNO2 S)

Compound Name

2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid

IUPAC name

2-(5-bromothiophen-2-yl)quinoline-4-carboxylic acid

SMILES

OC(c1cc(-c(s2)ccc2Br)nc2ccccc12)=O

InChI

InChI=1S/C14H8BrNO2S/c15-13-6-5-12(19-13)11-7-9(14(17)18)8-3-1-2-4-10(8)16-11/h1-7H,(H,17,18)

InChI Key

USPKYPKYLWABGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01630699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

0.575

Water Solubility, LogSw

-4.64

Polar Surface Area

37.724

Acid Dissociation Constant (pKa)

3.12

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

R052-1061 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R052-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-1061?
Check Price and Availability of R052-1061, 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 R052-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-1061
  • 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 R052-1061 available by request