K784-6044 Screening compound: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate

K784-6044 Screening compound: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate
K784-6044 Screening compound: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6044
ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)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

K784-6044

Molecular Formula

C27H29ClN4O3 (C27 H29 ClN4 O3)

Compound Name

ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate

IUPAC name

ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate

SMILES

CCOC(c(cc1)cc(NC(Nc2ccccc2)=O)c1N(CC1)CCN1c1c(C)ccc(Cl)c1)=O

InChI

InChI=1S/C27H29ClN4O3/c1-3-35-26(33)20-10-12-24(23(17-20)30-27(34)29-22-7-5-4-6-8-22)31-13-15-32(16-14-31)25-18-21(28)11-9-19(25)2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,29,30,34)

InChI Key

ORAZXBWBHUTHIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.01

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

7.057

Distribution Coefficient, logD

7.056

Water Solubility, LogSw

-6.24

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K784-6044 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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 K784-6044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6044?
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What is the minimum amount of K784-6044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6044
  • 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 K784-6044 available by request