5848-4126 Screening compound: 8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

5848-4126 Screening compound: 8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
5848-4126 Screening compound: 8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5848-4126
8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-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

5848-4126

Molecular Formula

C27H32F3NO4 (C27 H32 F3 NO4)

Compound Name

8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCCCN(CCCC)Cc(c(OC(C(F)(F)F)=C1Oc2ccc(CC)cc2)c(cc2)C1=O)c2O

InChI

InChI=1S/C27H32F3NO4/c1-4-7-15-31(16-8-5-2)17-21-22(32)14-13-20-23(33)25(26(27(28,29)30)35-24(20)21)34-19-11-9-18(6-3)10-12-19/h9-14,32H,4-8,15-17H2,1-3H3

InChI Key

WPWKIPBAQUAOCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.475

Distribution Coefficient, logD

6.481

Water Solubility, LogSw

-5.51

Polar Surface Area

47.787

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 5848-4126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5848-4126?
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What is the minimum amount of 5848-4126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5848-4126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5848-4126
  • 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 5848-4126 available by request