4300-0457 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

4300-0457 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one
4300-0457 Screening compound: 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0457
3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(pyrrolidin-1-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

4300-0457

Molecular Formula

C23H22F3NO4 (C23 H22 F3 NO4)

Compound Name

3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

IUPAC name

3-(35-dimethylphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-chromen-4-one

SMILES

Cc1cc(OC2=C(C(F)(F)F)Oc(c(CN3CCCC3)c(cc3)O)c3C2=O)cc(C)c1

InChI

InChI=1S/C23H22F3NO4/c1-13-9-14(2)11-15(10-13)30-21-19(29)16-5-6-18(28)17(12-27-7-3-4-8-27)20(16)31-22(21)23(24,25)26/h5-6,9-11,28H,3-4,7-8,12H2,1-2H3

InChI Key

PJSVVGVLPLVIJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-4.65

Polar Surface Area

47.946

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

4300-0457 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4300-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0457?
Check Price and Availability of 4300-0457, 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 4300-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0457
  • 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 4300-0457 available by request