4300-0121 Screening compound: 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one

4300-0121 Screening compound: 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one
4300-0121 Screening compound: 8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0121
8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-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

4300-0121

Molecular Formula

C26H30F3NO5 (C26 H30 F3 NO5)

Compound Name

8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

8-{[bis(2-methylpropyl)amino]methyl}-7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

CC(C)CN(CC(C)C)Cc(c(OC(C(F)(F)F)=C1Oc(cc2)ccc2OC)c(cc2)C1=O)c2O

InChI

InChI=1S/C26H30F3NO5/c1-15(2)12-30(13-16(3)4)14-20-21(31)11-10-19-22(32)24(25(26(27,28)29)35-23(19)20)34-18-8-6-17(33-5)7-9-18/h6-11,15-16,31H,12-14H2,1-5H3

InChI Key

VXFBDWSGNJTORB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.390

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.62

Polar Surface Area

55.374

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

References: we are preparing a list of scientific research reports with 4300-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0121?
Check Price and Availability of 4300-0121, 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 4300-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0121
  • 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 4300-0121 available by request