5451-0062 Screening compound: 6-{[3-chloro-2,5-difluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one

5451-0062 Screening compound: 6-{[3-chloro-2,5-difluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one
5451-0062 Screening compound: 6-{[3-chloro-2,5-difluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0062
6-{[3-chloro-2,5-difluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one

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

5451-0062

Molecular Formula

C25H21ClF2N2O3 (C25 H21 ClF2 N2 O3)

Compound Name

6-{[3-chloro-2,5-difluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC name

6-{[3-chloro-25-difluoro-6-(morpholin-4-yl)pyridin-4-yl]oxy}-4-phenyl-1234-tetrahydronaphthalen-1-one

SMILES

O=C(CCC1c2ccccc2)c(cc2)c1cc2Oc(c(Cl)c(nc1N2CCOCC2)F)c1F

InChI

InChI=1S/C25H21ClF2N2O3/c26-21-23(22(27)25(29-24(21)28)30-10-12-32-13-11-30)33-16-6-7-18-19(14-16)17(8-9-20(18)31)15-4-2-1-3-5-15/h1-7,14,17H,8-13H2/t17-/m0/s1

InChI Key

OTJIEDAOKBPABO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14710587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.927

Distribution Coefficient, logD

5.927

Water Solubility, LogSw

-6.36

Polar Surface Area

42.618

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

5451-0062 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5451-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0062?
Check Price and Availability of 5451-0062, 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 5451-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0062
  • 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 5451-0062 available by request