4300-0459 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

4300-0459 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
4300-0459 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0459
3-(3,5-dimethylphenoxy)-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

4300-0459

Molecular Formula

C23H22F3NO5 (C23 H22 F3 NO5)

Compound Name

3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(35-dimethylphenoxy)-7-hydroxy-8-[(morpholin-4-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

Cc1cc(OC2=C(C(F)(F)F)Oc(c(CN3CCOCC3)c(cc3)O)c3C2=O)cc(C)c1

InChI

InChI=1S/C23H22F3NO5/c1-13-9-14(2)11-15(10-13)31-21-19(29)16-3-4-18(28)17(12-27-5-7-30-8-6-27)20(16)32-22(21)23(24,25)26/h3-4,9-11,28H,5-8,12H2,1-2H3

InChI Key

JRRMVPNICZJVTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.43

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

4.378

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.12

Polar Surface Area

55.488

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

4300-0459 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 4300-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0459?
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What is the minimum amount of 4300-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0459
  • 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 4300-0459 available by request