7534-3098 Screening compound: N-(5-bromoquinolin-8-yl)-2-chloro-4-nitrobenzamide

7534-3098 Screening compound: N-(5-bromoquinolin-8-yl)-2-chloro-4-nitrobenzamide
7534-3098 Screening compound: N-(5-bromoquinolin-8-yl)-2-chloro-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7534-3098
N-(5-bromoquinolin-8-yl)-2-chloro-4-nitrobenzamide

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

7534-3098

Molecular Formula

C16H9BrClN3O3 (C16 H9 BrClN3 O3)

Compound Name

N-(5-bromoquinolin-8-yl)-2-chloro-4-nitrobenzamide

IUPAC name

N-(5-bromoquinolin-8-yl)-2-chloro-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(Cl)c1C(Nc(c1ncccc11)ccc1Br)=O)=O

InChI

InChI=1S/C16H9BrClN3O3/c17-12-5-6-14(15-10(12)2-1-7-19-15)20-16(22)11-4-3-9(21(23)24)8-13(11)18/h1-8H,(H,20,22)

InChI Key

XTUBFHYRTVJKFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.454

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.80

Polar Surface Area

65.547

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7534-3098 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7534-3098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7534-3098?
Check Price and Availability of 7534-3098, 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 7534-3098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7534-3098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7534-3098
  • 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 7534-3098 available by request