3453-0665 Screening compound: 3-(2-bromophenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

3453-0665 Screening compound: 3-(2-bromophenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
3453-0665 Screening compound: 3-(2-bromophenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0665
3-(2-bromophenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-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

3453-0665

Molecular Formula

C21H17BrF3NO5 (C21 H17 BrF3 NO5)

Compound Name

3-(2-bromophenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(2-bromophenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

Oc(cc1)c(CN2CCOCC2)c(OC(C(F)(F)F)=C2Oc(cccc3)c3Br)c1C2=O

InChI

InChI=1S/C21H17BrF3NO5/c22-14-3-1-2-4-16(14)30-19-17(28)12-5-6-15(27)13(11-26-7-9-29-10-8-26)18(12)31-20(19)21(23,24)25/h1-6,27H,7-11H2

InChI Key

BVVBYHKGUSTGPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

3.950

Water Solubility, LogSw

-4.18

Polar Surface Area

55.575

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3453-0665 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3453-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0665?
Check Price and Availability of 3453-0665, 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 3453-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0665
  • 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 3453-0665 available by request