Y041-5502 Screening compound: 3-(3,4,5-trifluorophenyl)-1,2-benzisoxazol-6-yl phenylmethanesulfonate

Y041-5502 Screening compound: 3-(3,4,5-trifluorophenyl)-1,2-benzisoxazol-6-yl phenylmethanesulfonate
Y041-5502 Screening compound: 3-(3,4,5-trifluorophenyl)-1,2-benzisoxazol-6-yl phenylmethanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5502
3-(3,4,5-trifluorophenyl)-1,2-benzisoxazol-6-yl phenylmethanesulfonate

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

Y041-5502

Molecular Formula

C20H12F3NO4S (C20 H12 F3 NO4 S)

Compound Name

3-(3,4,5-trifluorophenyl)-1,2-benzisoxazol-6-yl phenylmethanesulfonate

IUPAC name

3-(345-trifluorophenyl)-12-benzoxazol-6-yl phenylmethanesulfonate

SMILES

O=S(Cc1ccccc1)(Oc(cc1)cc2c1c(-c(cc1F)cc(F)c1F)no2)=O

InChI

InChI=1S/C20H12F3NO4S/c21-16-8-13(9-17(22)19(16)23)20-15-7-6-14(10-18(15)27-24-20)28-29(25,26)11-12-4-2-1-3-5-12/h1-10H,11H2

InChI Key

BCFVYYZFGHCLCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12212097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-5.04

Polar Surface Area

57.003

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with Y041-5502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5502?
Check Price and Availability of Y041-5502, 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 Y041-5502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5502
  • 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 Y041-5502 available by request