2188-0700 Screening compound: 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide

2188-0700 Screening compound: 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
2188-0700 Screening compound: 6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-0700
6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide

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

2188-0700

Molecular Formula

C29H23BrN4O3S (C29 H23 BrN4 O3 S)

Compound Name

6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide

IUPAC name

6-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide

SMILES

Cc(nc1SCC(Nc(cc2)ccc2Br)=O)c(C(Nc2ccccc2)=O)c(-c(cc2)ccc2OC)c1C#N

InChI

InChI=1S/C29H23BrN4O3S/c1-18-26(28(36)34-21-6-4-3-5-7-21)27(19-8-14-23(37-2)15-9-19)24(16-31)29(32-18)38-17-25(35)33-22-12-10-20(30)11-13-22/h3-15H,17H2,1-2H3,(H,33,35)(H,34,36)

InChI Key

DKFXKBSFOABJTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.527

Distribution Coefficient, logD

6.527

Water Solubility, LogSw

-5.81

Polar Surface Area

79.860

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

2188-0700 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2188-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-0700?
Check Price and Availability of 2188-0700, 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 2188-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-0700
  • 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 2188-0700 available by request