8011-0525 Screening compound: 4-bromo-N-(2-cyanophenyl)-3-(morpholine-4-sulfonyl)benzamide

8011-0525 Screening compound: 4-bromo-N-(2-cyanophenyl)-3-(morpholine-4-sulfonyl)benzamide
8011-0525 Screening compound: 4-bromo-N-(2-cyanophenyl)-3-(morpholine-4-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0525
4-bromo-N-(2-cyanophenyl)-3-(morpholine-4-sulfonyl)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

8011-0525

Molecular Formula

C18H16BrN3O4S (C18 H16 BrN3 O4 S)

Compound Name

4-bromo-N-(2-cyanophenyl)-3-(morpholine-4-sulfonyl)benzamide

IUPAC name

4-bromo-N-(2-cyanophenyl)-3-(morpholine-4-sulfonyl)benzamide

SMILES

N#Cc(cccc1)c1NC(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1Br)=O

InChI

InChI=1S/C18H16BrN3O4S/c19-15-6-5-13(18(23)21-16-4-2-1-3-14(16)12-20)11-17(15)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10H2,(H,21,23)

InChI Key

XISGFCVPUYGKDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-3.20

Polar Surface Area

79.308

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8011-0525 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8011-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0525?
Check Price and Availability of 8011-0525, 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 8011-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0525
  • 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 8011-0525 available by request