6049-1002 Screening compound: 3,4-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide

6049-1002 Screening compound: 3,4-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
6049-1002 Screening compound: 3,4-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1002
3,4-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}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

6049-1002

Molecular Formula

C20H20N4O5S (C20 H20 N4 O5 S)

Compound Name

3,4-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide

IUPAC name

34-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide

SMILES

Cc1ccnc(NS(c(cc2)ccc2NC(c(cc2)cc(OC)c2OC)=O)(=O)=O)n1

InChI

InChI=1S/C20H20N4O5S/c1-13-10-11-21-20(22-13)24-30(26,27)16-7-5-15(6-8-16)23-19(25)14-4-9-17(28-2)18(12-14)29-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)

InChI Key

HVRACJDTTLMEBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00592807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

1.328

Water Solubility, LogSw

-3.00

Polar Surface Area

99.184

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6049-1002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6049-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1002?
Check Price and Availability of 6049-1002, 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 6049-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1002
  • 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 6049-1002 available by request