K220-14594 Screening compound: 4-{[(2Z)-8-ethoxy-3-[(2-fluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino}benzoic acid

K220-14594 Screening compound: 4-{[(2Z)-8-ethoxy-3-[(2-fluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino}benzoic acid
K220-14594 Screening compound: 4-{[(2Z)-8-ethoxy-3-[(2-fluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K220-14594
4-{[(2Z)-8-ethoxy-3-[(2-fluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino}benzoic acid

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

K220-14594

Molecular Formula

C25H19FN2O5 (C25 H19 FN2 O5)

Compound Name

4-{[(2Z)-8-ethoxy-3-[(2-fluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino}benzoic acid

IUPAC name

4-{[(2Z)-8-ethoxy-3-[(2-fluorophenyl)carbamoyl]-2H-chromen-2-ylidene]amino}benzoic acid

SMILES

CCOc1cccc(C=C2C(Nc(cccc3)c3F)=O)c1O/C2=N\c(cc1)ccc1C(O)=O

InChI

InChI=1S/C25H19FN2O5/c1-2-32-21-9-5-6-16-14-18(23(29)28-20-8-4-3-7-19(20)26)24(33-22(16)21)27-17-12-10-15(11-13-17)25(30)31/h3-14H,2H2,1H3,(H,28,29)(H,30,31)

InChI Key

ADKMPJKPQXDJPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.43

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

4.664

Distribution Coefficient, logD

1.274

Water Solubility, LogSw

-4.37

Polar Surface Area

73.641

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

K220-14594 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K220-14594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K220-14594?
Check Price and Availability of K220-14594, 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 K220-14594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K220-14594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K220-14594
  • 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 K220-14594 available by request