K784-6042 Screening compound: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-{[(4-ethylphenyl)carbamoyl]amino}benzoate

K784-6042 Screening compound: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-{[(4-ethylphenyl)carbamoyl]amino}benzoate
K784-6042 Screening compound: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-{[(4-ethylphenyl)carbamoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6042
ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-{[(4-ethylphenyl)carbamoyl]amino}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

K784-6042

Molecular Formula

C30H36N4O3 (C30 H36 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(Nc(cc(cc1)C(OCC)=O)c1N(CC1)CCN1c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C30H36N4O3/c1-5-23-9-12-25(13-10-23)31-30(36)32-26-20-24(29(35)37-6-2)11-14-27(26)33-15-17-34(18-16-33)28-19-21(3)7-8-22(28)4/h7-14,19-20H,5-6,15-18H2,1-4H3,(H2,31,32,36)

InChI Key

UJVKZHAYEFBIRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.055

Distribution Coefficient, logD

8.054

Water Solubility, LogSw

-5.56

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K784-6042 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K784-6042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6042?
Check Price and Availability of K784-6042, 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 K784-6042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6042
  • 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 K784-6042 available by request