1187-0274 Screening compound: 1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-2,4-dinitrobenzene

1187-0274 Screening compound: 1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-2,4-dinitrobenzene
1187-0274 Screening compound: 1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-2,4-dinitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0274
1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-2,4-dinitrobenzene

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

1187-0274

Molecular Formula

C13H6F12N2O5 (C13 H6 F12 N2 O5)

Compound Name

1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-2,4-dinitrobenzene

IUPAC name

1-[(223344556677-dodecafluoroheptyl)oxy]-24-dinitrobenzene

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O

InChI

InChI=1S/C13H6F12N2O5/c14-8(15)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)4-32-7-2-1-5(26(28)29)3-6(7)27(30)31/h1-3,8H,4H2

InChI Key

CINBCMXPOAFIGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00277270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.18

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-5.39

Polar Surface Area

74.286

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 1187-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0274?
Check Price and Availability of 1187-0274, 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 1187-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0274
  • 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 1187-0274 available by request