K061-1046 Screening compound: 3-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenoxy]dibenzo[b,d]furan

K061-1046 Screening compound: 3-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenoxy]dibenzo[b,d]furan
K061-1046 Screening compound: 3-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenoxy]dibenzo[b,d]furan alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-1046
3-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenoxy]dibenzo[b,d]furan

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

K061-1046

Molecular Formula

C21H13F4NO5 (C21 H13 F4 NO5)

Compound Name

3-[3-nitro-5-(2,2,3,3-tetrafluoropropoxy)phenoxy]dibenzo[b,d]furan

IUPAC name

5-[3-nitro-5-(2233-tetrafluoropropoxy)phenoxy]-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaene

SMILES

[O-][N+](c1cc(OCC(C(F)F)(F)F)cc(Oc(cc2)cc3c2c(cccc2)c2o3)c1)=O

InChI

InChI=1S/C21H13F4NO5/c22-20(23)21(24,25)11-29-14-7-12(26(27)28)8-15(9-14)30-13-5-6-17-16-3-1-2-4-18(16)31-19(17)10-13/h1-10,20H,11H2

InChI Key

SPEPHERLZYSMPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.583

Distribution Coefficient, logD

6.583

Water Solubility, LogSw

-6.46

Polar Surface Area

55.782

Acid Dissociation Constant (pKa)

24.56

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K061-1046 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K061-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-1046?
Check Price and Availability of K061-1046, 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 K061-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-1046
  • 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 K061-1046 available by request