4491-0455 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide

4491-0455 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide
4491-0455 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0455
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide

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

4491-0455

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide

IUPAC name

N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-34-dimethoxybenzamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(c(cc2)cc(OC)c2OC)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C21H22N4O5S/c1-13-11-14(2)23-21(22-13)25-31(27,28)17-8-6-16(7-9-17)24-20(26)15-5-10-18(29-3)19(12-15)30-4/h5-12H,1-4H3,(H,24,26)(H,22,23,25)

InChI Key

FRUMLWKVFFRSAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

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

2.163

Distribution Coefficient, logD

1.680

Water Solubility, LogSw

-3.04

Polar Surface Area

98.558

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

4491-0455 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4491-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0455?
Check Price and Availability of 4491-0455, 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 4491-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0455
  • 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 4491-0455 available by request