5847-0246 Screening compound: 3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

5847-0246 Screening compound: 3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one
5847-0246 Screening compound: 3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0246
3-(4-tert-butylphenoxy)-8-[(dipropylamino)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

5847-0246

Molecular Formula

C27H32F3NO4 (C27 H32 F3 NO4)

Compound Name

3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CCCN(CCC)Cc(c(OC(C(F)(F)F)=C1Oc2ccc(C(C)(C)C)cc2)c(cc2)C1=O)c2O

InChI

InChI=1S/C27H32F3NO4/c1-6-14-31(15-7-2)16-20-21(32)13-12-19-22(33)24(25(27(28,29)30)35-23(19)20)34-18-10-8-17(9-11-18)26(3,4)5/h8-13,32H,6-7,14-16H2,1-5H3

InChI Key

HSXJHKWCQVEPAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786391

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

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.304

Distribution Coefficient, logD

6.224

Water Solubility, LogSw

-5.60

Polar Surface Area

47.787

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 5847-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0246?
Check Price and Availability of 5847-0246, 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 5847-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0246
  • 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 5847-0246 available by request