4550-6126 Screening compound: ethyl 4-[(4-fluorophenyl)(morpholin-4-yl)methyl]-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate

4550-6126 Screening compound: ethyl 4-[(4-fluorophenyl)(morpholin-4-yl)methyl]-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate
4550-6126 Screening compound: ethyl 4-[(4-fluorophenyl)(morpholin-4-yl)methyl]-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-6126
ethyl 4-[(4-fluorophenyl)(morpholin-4-yl)methyl]-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate

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

4550-6126

Molecular Formula

C27H26FNO5 (C27 H26 FNO5)

Compound Name

ethyl 4-[(4-fluorophenyl)(morpholin-4-yl)methyl]-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate

IUPAC name

ethyl 4-[(4-fluorophenyl)(morpholin-4-yl)methyl]-5-hydroxy-2-methylnaphtho[12-b]furan-3-carboxylate

SMILES

CCOC(c1c(C)oc(c2ccccc22)c1c(C(c(cc1)ccc1F)N1CCOCC1)c2O)=O

InChI

InChI=1S/C27H26FNO5/c1-3-33-27(31)21-16(2)34-26-20-7-5-4-6-19(20)25(30)23(22(21)26)24(29-12-14-32-15-13-29)17-8-10-18(28)11-9-17/h4-11,24,30H,3,12-15H2,1-2H3/t24-/m0/s1

InChI Key

JSMIYSANCKIMND-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03544071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

5.244

Water Solubility, LogSw

-5.24

Polar Surface Area

55.042

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

4550-6126 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4550-6126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-6126?
Check Price and Availability of 4550-6126, 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 4550-6126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-6126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-6126
  • 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 4550-6126 available by request