K784-6559 Screening compound: ethyl 3-{[(4-ethylphenyl)carbamoyl]amino}-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate

K784-6559 Screening compound: ethyl 3-{[(4-ethylphenyl)carbamoyl]amino}-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate
K784-6559 Screening compound: ethyl 3-{[(4-ethylphenyl)carbamoyl]amino}-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6559
ethyl 3-{[(4-ethylphenyl)carbamoyl]amino}-4-[4-(2-fluorophenyl)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

K784-6559

Molecular Formula

C28H31FN4O3 (C28 H31 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(Nc(cc(cc1)C(OCC)=O)c1N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C28H31FN4O3/c1-3-20-9-12-22(13-10-20)30-28(35)31-24-19-21(27(34)36-4-2)11-14-26(24)33-17-15-32(16-18-33)25-8-6-5-7-23(25)29/h5-14,19H,3-4,15-18H2,1-2H3,(H2,30,31,35)

InChI Key

LGVLWHMVUMPYEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

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

7.075

Distribution Coefficient, logD

7.075

Water Solubility, LogSw

-5.68

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K784-6559 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-6559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6559?
Check Price and Availability of K784-6559, 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 K784-6559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6559
  • 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 K784-6559 available by request