8013-1535 Screening compound: 4-(benzenesulfonyl)-N-(5-bromoquinolin-8-yl)benzamide

8013-1535 Screening compound: 4-(benzenesulfonyl)-N-(5-bromoquinolin-8-yl)benzamide
8013-1535 Screening compound: 4-(benzenesulfonyl)-N-(5-bromoquinolin-8-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1535
4-(benzenesulfonyl)-N-(5-bromoquinolin-8-yl)benzamide

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

8013-1535

Molecular Formula

C22H15BrN2O3S (C22 H15 BrN2 O3 S)

Compound Name

4-(benzenesulfonyl)-N-(5-bromoquinolin-8-yl)benzamide

IUPAC name

4-(benzenesulfonyl)-N-(5-bromoquinolin-8-yl)benzamide

SMILES

O=C(c(cc1)ccc1S(c1ccccc1)(=O)=O)Nc(c1ncccc11)ccc1Br

InChI

InChI=1S/C22H15BrN2O3S/c23-19-12-13-20(21-18(19)7-4-14-24-21)25-22(26)15-8-10-17(11-9-15)29(27,28)16-5-2-1-3-6-16/h1-14H,(H,25,26)

InChI Key

IECNWOKTUOYCGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.778

Water Solubility, LogSw

-5.11

Polar Surface Area

61.666

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-1535 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-1535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1535?
Check Price and Availability of 8013-1535, 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 8013-1535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1535
  • 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 8013-1535 available by request