3186-0503 Screening compound: 4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one

3186-0503 Screening compound: 4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one
3186-0503 Screening compound: 4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3186-0503
4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one

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

3186-0503

Molecular Formula

C10H8F3NO6S (C10 H8 F3 NO6 S)

Compound Name

4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one

IUPAC name

4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-132lambda4-dioxathiolan-2-one

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1OCC(CO1)OS1=O)=O

InChI

InChI=1S/C10H10F3NO6S/c11-10(12,13)6-1-2-9(8(3-6)14(15)16)18-4-7-5-19-21(17)20-7/h1-3,7H,4-5,21H2

InChI Key

MSKIZHDNEAMHPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.24

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.905

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-2.66

Polar Surface Area

70.308

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 3186-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3186-0503?
Check Price and Availability of 3186-0503, 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 3186-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3186-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3186-0503
  • 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 3186-0503 available by request