8016-7066 Screening compound: 4-(1,3-benzodioxol-5-yl)-1-[4-(trifluoromethyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

8016-7066 Screening compound: 4-(1,3-benzodioxol-5-yl)-1-[4-(trifluoromethyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
8016-7066 Screening compound: 4-(1,3-benzodioxol-5-yl)-1-[4-(trifluoromethyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7066
4-(1,3-benzodioxol-5-yl)-1-[4-(trifluoromethyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

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

8016-7066

Molecular Formula

C21H14F3NO5 (C21 H14 F3 NO5)

Compound Name

4-(1,3-benzodioxol-5-yl)-1-[4-(trifluoromethyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione

IUPAC name

4-(2H-13-benzodioxol-5-yl)-1-[4-(trifluoromethyl)phenyl]-1H2H3H4H5H7H-furo[34-b]pyridine-25-dione

SMILES

O=C1OCC(N(C(C2)=O)c3ccc(C(F)(F)F)cc3)=C1C2c(cc1)cc2c1OCO2

InChI

InChI=1S/C21H14F3NO5/c22-21(23,24)12-2-4-13(5-3-12)25-15-9-28-20(27)19(15)14(8-18(25)26)11-1-6-16-17(7-11)30-10-29-16/h1-7,14H,8-10H2/t14-/m0/s1

InChI Key

ODNNZQFYWMWKNM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05858497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.359

Water Solubility, LogSw

-3.57

Polar Surface Area

55.105

Acid Dissociation Constant (pKa)

17.87

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

8016-7066 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-7066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7066?
Check Price and Availability of 8016-7066, 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 8016-7066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7066
  • 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 8016-7066 available by request