Y031-0099 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

Y031-0099 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Y031-0099 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0099
2-(2-chloro-6-fluorophenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

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

Y031-0099

Molecular Formula

C19H16ClFN4O3S (C19 H16 ClFN4 O3 S)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(Cc(c(F)ccc2)c2Cl)=O)(=O)=O)n1

InChI

InChI=1S/C19H16ClFN4O3S/c1-12-9-10-22-19(23-12)25-29(27,28)14-7-5-13(6-8-14)24-18(26)11-15-16(20)3-2-4-17(15)21/h2-10H,11H2,1H3,(H,24,26)(H,22,23,25)

InChI Key

AJMKGEDCWBTNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05996715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

2.401

Water Solubility, LogSw

-3.51

Polar Surface Area

83.710

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y031-0099 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with Y031-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0099?
Check Price and Availability of Y031-0099, 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 Y031-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0099
  • 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 Y031-0099 available by request