3793-3102 Screening compound: butyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

3793-3102 Screening compound: butyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate
3793-3102 Screening compound: butyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3102
butyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

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

3793-3102

Molecular Formula

C24H23F3O6 (C24 H23 F3 O6)

Compound Name

butyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

IUPAC name

butyl 2-{[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate

SMILES

CCCCOC(C(C)Oc(cc1)cc(OC(C(F)(F)F)=C2Oc3cc(C)ccc3)c1C2=O)=O

InChI

InChI=1S/C24H23F3O6/c1-4-5-11-30-23(29)15(3)31-17-9-10-18-19(13-17)33-22(24(25,26)27)21(20(18)28)32-16-8-6-7-14(2)12-16/h6-10,12-13,15H,4-5,11H2,1-3H3/t15-/m0/s1

InChI Key

YCIIFYLDCDBLJO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02355986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.855

Distribution Coefficient, logD

5.855

Water Solubility, LogSw

-5.46

Polar Surface Area

55.452

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3793-3102 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 3793-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3102?
Check Price and Availability of 3793-3102, 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 3793-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3102
  • 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 3793-3102 available by request