Y041-5476 Screening compound: 3-(4-chlorobenzyl)-1,2-benzisoxazol-6-yl methanesulfonate

Y041-5476 Screening compound: 3-(4-chlorobenzyl)-1,2-benzisoxazol-6-yl methanesulfonate
Y041-5476 Screening compound: 3-(4-chlorobenzyl)-1,2-benzisoxazol-6-yl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5476
3-(4-chlorobenzyl)-1,2-benzisoxazol-6-yl methanesulfonate

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

Y041-5476

Molecular Formula

C15H12ClNO4S (C15 H12 ClNO4 S)

Compound Name

3-(4-chlorobenzyl)-1,2-benzisoxazol-6-yl methanesulfonate

IUPAC name

3-[(4-chlorophenyl)methyl]-12-benzoxazol-6-yl methanesulfonate

SMILES

CS(Oc(cc1)cc2c1c(Cc(cc1)ccc1Cl)no2)(=O)=O

InChI

InChI=1S/C15H12ClNO4S/c1-22(18,19)21-12-6-7-13-14(17-20-15(13)9-12)8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3

InChI Key

IHGVDAMVDMKURL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12209377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.12

Polar Surface Area

58.810

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with Y041-5476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5476?
Check Price and Availability of Y041-5476, 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 Y041-5476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5476
  • 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 Y041-5476 available by request