0466-0013 Screening compound: 4-bromo-3-[(3-nitrophenyl)sulfamoyl]-N-phenylbenzamide

0466-0013 Screening compound: 4-bromo-3-[(3-nitrophenyl)sulfamoyl]-N-phenylbenzamide
0466-0013 Screening compound: 4-bromo-3-[(3-nitrophenyl)sulfamoyl]-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0013
4-bromo-3-[(3-nitrophenyl)sulfamoyl]-N-phenylbenzamide

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

0466-0013

Molecular Formula

C19H14BrN3O5S (C19 H14 BrN3 O5 S)

Compound Name

4-bromo-3-[(3-nitrophenyl)sulfamoyl]-N-phenylbenzamide

IUPAC name

4-bromo-3-[(3-nitrophenyl)sulfamoyl]-N-phenylbenzamide

SMILES

[O-][N+](c1cccc(NS(c(cc(cc2)C(Nc3ccccc3)=O)c2Br)(=O)=O)c1)=O

InChI

InChI=1S/C19H14BrN3O5S/c20-17-10-9-13(19(24)21-14-5-2-1-3-6-14)11-18(17)29(27,28)22-15-7-4-8-16(12-15)23(25)26/h1-12,22H,(H,21,24)

InChI Key

QANWUZCJRNARTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-4.54

Polar Surface Area

97.361

Acid Dissociation Constant (pKa)

6.12

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0466-0013 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0466-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0013?
Check Price and Availability of 0466-0013, 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 0466-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0013
  • 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 0466-0013 available by request