K784-6157 Screening compound: ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate

K784-6157 Screening compound: ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate
K784-6157 Screening compound: ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6157
ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate

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

K784-6157

Molecular Formula

C28H30Cl2N4O3 (C28 H30 Cl2 N4 O3)

Compound Name

ethyl 3-{[(3,4-dichlorophenyl)carbamoyl]amino}-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate

IUPAC name

ethyl 3-{[(34-dichlorophenyl)carbamoyl]amino}-4-[4-(25-dimethylphenyl)piperazin-1-yl]benzoate

SMILES

CCOC(c(cc1)cc(NC(Nc(cc2)cc(Cl)c2Cl)=O)c1N(CC1)CCN1c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C28H30Cl2N4O3/c1-4-37-27(35)20-7-10-25(24(16-20)32-28(36)31-21-8-9-22(29)23(30)17-21)33-11-13-34(14-12-33)26-15-18(2)5-6-19(26)3/h5-10,15-17H,4,11-14H2,1-3H3,(H2,31,32,36)

InChI Key

SUBHSWAMODMFGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.598

Distribution Coefficient, logD

8.592

Water Solubility, LogSw

-6.54

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K784-6157 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K784-6157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6157?
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What is the minimum amount of K784-6157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6157
  • 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 K784-6157 available by request