5977-0450 Screening compound: 3-(2-chlorophenoxy)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

5977-0450 Screening compound: 3-(2-chlorophenoxy)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
5977-0450 Screening compound: 3-(2-chlorophenoxy)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5977-0450
3-(2-chlorophenoxy)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-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

5977-0450

Molecular Formula

C24H23ClF3NO4 (C24 H23 ClF3 NO4)

Compound Name

3-(2-chlorophenoxy)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(2-chlorophenoxy)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCC1N(Cc(c(OC(C(F)(F)F)=C2Oc(cccc3)c3Cl)c(cc3)C2=O)c3O)CCCC1

InChI

InChI=1S/C24H23ClF3NO4/c1-2-14-7-5-6-12-29(14)13-16-18(30)11-10-15-20(31)22(23(24(26,27)28)33-21(15)16)32-19-9-4-3-8-17(19)25/h3-4,8-11,14,30H,2,5-7,12-13H2,1H3/t14-/m0/s1

InChI Key

LTTJJPZWSGWROU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03268133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

4.575

Water Solubility, LogSw

-5.48

Polar Surface Area

47.478

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

5977-0450 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5977-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5977-0450?
Check Price and Availability of 5977-0450, 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 5977-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5977-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5977-0450
  • 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 5977-0450 available by request