3793-3301 Screening compound: propan-2-yl 2-{[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

3793-3301 Screening compound: propan-2-yl 2-{[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
3793-3301 Screening compound: propan-2-yl 2-{[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3301
propan-2-yl 2-{[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

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

3793-3301

Molecular Formula

C25H25F3O6 (C25 H25 F3 O6)

Compound Name

propan-2-yl 2-{[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

IUPAC name

propan-2-yl 2-{[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate

SMILES

CC(C)OC(COc(cc1)cc(OC(C(F)(F)F)=C2Oc3ccc(C(C)(C)C)cc3)c1C2=O)=O

InChI

InChI=1S/C25H25F3O6/c1-14(2)32-20(29)13-31-17-10-11-18-19(12-17)34-23(25(26,27)28)22(21(18)30)33-16-8-6-15(7-9-16)24(3,4)5/h6-12,14H,13H2,1-5H3

InChI Key

LEWDEBVXNNXLHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02356169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.070

Distribution Coefficient, logD

6.070

Water Solubility, LogSw

-5.52

Polar Surface Area

54.952

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

3793-3301 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 3793-3301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3301?
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What is the minimum amount of 3793-3301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3301
  • 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 3793-3301 available by request