4678-0344 Screening compound: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}cyclopropane-1-carboxamide

4678-0344 Screening compound: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}cyclopropane-1-carboxamide
4678-0344 Screening compound: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}cyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-0344
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}cyclopropane-1-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

4678-0344

Molecular Formula

C18H18Cl2N4O3S (C18 H18 Cl2 N4 O3 S)

Compound Name

3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}cyclopropane-1-carboxamide

IUPAC name

3-(22-dichloroethenyl)-22-dimethyl-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}cyclopropane-1-carboxamide

SMILES

CC(C)(C1C=C(Cl)Cl)C1C(Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O

InChI

InChI=1S/C18H18Cl2N4O3S/c1-18(2)13(10-14(19)20)15(18)16(25)23-11-4-6-12(7-5-11)28(26,27)24-17-21-8-3-9-22-17/h3-10,13,15H,1-2H3,(H,23,25)(H,21,22,24)

InChI Key

BXRJPUFWPKJPOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.34

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

2.928

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-3.58

Polar Surface Area

85.072

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

4678-0344 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 4678-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-0344?
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What is the minimum amount of 4678-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-0344
  • 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 4678-0344 available by request