4491-1111 Screening compound: 5-bromo-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide

4491-1111 Screening compound: 5-bromo-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide
4491-1111 Screening compound: 5-bromo-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1111
5-bromo-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide

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

4491-1111

Molecular Formula

C15H11BrN4O3S2 (C15 H11 BrN4 O3 S2)

Compound Name

5-bromo-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide

IUPAC name

5-bromo-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}pyridine-3-carboxamide

SMILES

O=C(c1cc(Br)cnc1)Nc(cc1)ccc1S(Nc1nccs1)(=O)=O

InChI

InChI=1S/C15H11BrN4O3S2/c16-11-7-10(8-17-9-11)14(21)19-12-1-3-13(4-2-12)25(22,23)20-15-18-5-6-24-15/h1-9H,(H,18,20)(H,19,21)

InChI Key

CZRLHGWLMYKKSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-3.19

Polar Surface Area

84.065

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4491-1111 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Proteases
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4491-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1111?
Check Price and Availability of 4491-1111, 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 4491-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1111
  • 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 4491-1111 available by request