4478-7618 Screening compound: 2-(2,4-dichlorophenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}propanamide

4478-7618 Screening compound: 2-(2,4-dichlorophenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}propanamide
4478-7618 Screening compound: 2-(2,4-dichlorophenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7618
2-(2,4-dichlorophenoxy)-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}propanamide

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

4478-7618

Molecular Formula

C21H20Cl2N4O4S (C21 H20 Cl2 N4 O4 S)

Compound Name

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

IUPAC name

2-(24-dichlorophenoxy)-N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}propanamide

SMILES

CC(C(Nc(cc1)ccc1S(Nc1nc(C)cc(C)n1)(=O)=O)=O)Oc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C21H20Cl2N4O4S/c1-12-10-13(2)25-21(24-12)27-32(29,30)17-7-5-16(6-8-17)26-20(28)14(3)31-19-9-4-15(22)11-18(19)23/h4-11,14H,1-3H3,(H,26,28)(H,24,25,27)/t14-/m0/s1

InChI Key

MDZSGFGCXGNPMB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02603261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-4.27

Polar Surface Area

90.173

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

4478-7618 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4478-7618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7618?
Check Price and Availability of 4478-7618, 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 4478-7618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7618
  • 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 4478-7618 available by request